USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -90:sc= -0.619 USER MOD Single : A 8 MET CE :methyl 172:sc= 0 (180deg=-0.158) USER MOD Single : A 9 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.78) USER MOD Single : A 13 MET CE :methyl 179:sc= -0.0486 (180deg=-0.0526) USER MOD Single : A 20 CYS SG : rot -100:sc= -2.3! USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= -1.58! (180deg=-2.57!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -5:sc= 0.577 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-3.4!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0086 K(o=-0.0086,f=-1.8) USER MOD Single : A 42 HIS : no HE2:sc= 0.421 K(o=0.42,f=-1.4) USER MOD Single : A 43 MET CE :methyl -155:sc= -0.242 (180deg=-1.06) USER MOD Single : A 76 GLN : amide:sc= -1.31! K(o=-1.3!,f=-0.045) USER MOD Single : A 86 THR OG1 : rot 59:sc= 0.412 USER MOD Single : A 87 SER OG : rot 60:sc= 1.27 USER MOD Single : A 88 MET CE :methyl -163:sc= -0.0729 (180deg=-0.478) USER MOD Single : A 91 GLN : amide:sc= -3.34! C(o=-3.3!,f=-6.1!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 94 GLN : amide:sc= -1.2 K(o=-1.2,f=-6.5!) USER MOD Single : A 97 GLN : amide:sc= -1.96! K(o=-2!,f=-1) USER MOD Single : A 102 THR OG1 : rot 147:sc= -1.34! USER MOD Single : A 103 ASN : amide:sc= -0.0732 K(o=-0.073,f=-1.9!) USER MOD Single : A 104 ASN : amide:sc= -0.788 X(o=-0.79,f=-1) USER MOD Single : A 105 ASN : amide:sc= 0.0249 K(o=0.025,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -30.426 12.192 -4.379 1.00 5.46 N ATOM 16 CA ILE A 2 -30.623 10.913 -3.736 1.00 4.94 C ATOM 17 C ILE A 2 -29.321 10.408 -3.115 1.00 4.60 C ATOM 18 O ILE A 2 -28.275 10.409 -3.769 1.00 4.72 O ATOM 19 CB ILE A 2 -31.135 9.891 -4.776 1.00 4.98 C ATOM 20 CG1 ILE A 2 -32.481 10.349 -5.355 1.00 5.40 C ATOM 21 CG2 ILE A 2 -31.261 8.516 -4.157 1.00 4.52 C ATOM 22 CD1 ILE A 2 -33.019 9.445 -6.444 1.00 5.69 C ATOM 0 HA ILE A 2 -31.358 11.032 -2.940 1.00 4.94 H new ATOM 0 HB ILE A 2 -30.410 9.832 -5.588 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -33.212 10.405 -4.549 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -32.369 11.357 -5.755 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -31.623 7.812 -4.906 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -30.287 8.190 -3.793 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -31.964 8.554 -3.325 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -33.972 9.834 -6.802 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -32.309 9.408 -7.270 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -33.164 8.441 -6.045 1.00 5.69 H new ATOM 34 N ASP A 3 -29.376 9.999 -1.849 1.00 4.29 N ATOM 35 CA ASP A 3 -28.221 9.383 -1.201 1.00 4.07 C ATOM 36 C ASP A 3 -28.018 7.968 -1.701 1.00 3.76 C ATOM 37 O ASP A 3 -28.319 6.997 -1.006 1.00 3.50 O ATOM 38 CB ASP A 3 -28.351 9.358 0.325 1.00 3.99 C ATOM 39 CG ASP A 3 -27.931 10.658 0.974 1.00 4.25 C ATOM 40 OD1 ASP A 3 -26.712 10.892 1.119 1.00 4.60 O ATOM 41 OD2 ASP A 3 -28.817 11.461 1.324 1.00 4.39 O ATOM 0 H ASP A 3 -30.201 10.082 -1.256 1.00 4.29 H new ATOM 0 HA ASP A 3 -27.359 9.998 -1.460 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -29.385 9.142 0.593 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -27.742 8.546 0.723 1.00 3.99 H new ATOM 46 N GLU A 4 -27.511 7.849 -2.914 1.00 3.88 N ATOM 47 CA GLU A 4 -27.190 6.555 -3.481 1.00 3.72 C ATOM 48 C GLU A 4 -25.964 5.972 -2.795 1.00 3.64 C ATOM 49 O GLU A 4 -25.572 4.834 -3.043 1.00 3.58 O ATOM 50 CB GLU A 4 -27.002 6.673 -4.985 1.00 4.04 C ATOM 51 CG GLU A 4 -28.288 7.085 -5.672 1.00 4.23 C ATOM 52 CD GLU A 4 -28.158 7.176 -7.177 1.00 4.68 C ATOM 53 OE1 GLU A 4 -28.059 6.120 -7.837 1.00 4.67 O ATOM 54 OE2 GLU A 4 -28.142 8.305 -7.711 1.00 5.13 O ATOM 0 H GLU A 4 -27.312 8.639 -3.528 1.00 3.88 H new ATOM 0 HA GLU A 4 -28.018 5.868 -3.309 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -26.223 7.404 -5.200 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -26.663 5.718 -5.387 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -29.070 6.368 -5.424 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -28.607 8.052 -5.282 1.00 4.23 H new ATOM 61 N SER A 5 -25.366 6.765 -1.923 1.00 3.76 N ATOM 62 CA SER A 5 -24.363 6.265 -1.012 1.00 3.85 C ATOM 63 C SER A 5 -24.989 5.207 -0.102 1.00 3.61 C ATOM 64 O SER A 5 -24.342 4.224 0.257 1.00 3.72 O ATOM 65 CB SER A 5 -23.798 7.417 -0.179 1.00 4.10 C ATOM 66 OG SER A 5 -23.382 8.485 -1.015 1.00 4.17 O ATOM 0 H SER A 5 -25.562 7.762 -1.830 1.00 3.76 H new ATOM 0 HA SER A 5 -23.548 5.813 -1.577 1.00 3.85 H new ATOM 0 HB2 SER A 5 -24.555 7.771 0.521 1.00 4.10 H new ATOM 0 HB3 SER A 5 -22.955 7.064 0.414 1.00 4.10 H new ATOM 0 HG SER A 5 -23.025 9.212 -0.463 1.00 4.17 H new ATOM 72 N SER A 6 -26.266 5.403 0.238 1.00 3.37 N ATOM 73 CA SER A 6 -27.000 4.460 1.074 1.00 3.21 C ATOM 74 C SER A 6 -27.050 3.082 0.418 1.00 3.07 C ATOM 75 O SER A 6 -26.699 2.072 1.035 1.00 3.14 O ATOM 76 CB SER A 6 -28.424 4.967 1.310 1.00 3.12 C ATOM 77 OG SER A 6 -29.143 4.104 2.175 1.00 3.42 O ATOM 0 H SER A 6 -26.812 6.212 -0.057 1.00 3.37 H new ATOM 0 HA SER A 6 -26.482 4.375 2.029 1.00 3.21 H new ATOM 0 HB2 SER A 6 -28.389 5.968 1.739 1.00 3.12 H new ATOM 0 HB3 SER A 6 -28.946 5.047 0.357 1.00 3.12 H new ATOM 0 HG SER A 6 -29.601 3.418 1.646 1.00 3.42 H new ATOM 83 N VAL A 7 -27.481 3.045 -0.840 1.00 2.98 N ATOM 84 CA VAL A 7 -27.612 1.783 -1.545 1.00 2.91 C ATOM 85 C VAL A 7 -26.252 1.141 -1.777 1.00 3.12 C ATOM 86 O VAL A 7 -26.097 -0.065 -1.620 1.00 3.14 O ATOM 87 CB VAL A 7 -28.375 1.920 -2.886 1.00 2.96 C ATOM 88 CG1 VAL A 7 -27.785 3.001 -3.774 1.00 3.24 C ATOM 89 CG2 VAL A 7 -28.397 0.588 -3.613 1.00 2.98 C ATOM 0 H VAL A 7 -27.742 3.868 -1.384 1.00 2.98 H new ATOM 0 HA VAL A 7 -28.206 1.135 -0.901 1.00 2.91 H new ATOM 0 HB VAL A 7 -29.397 2.220 -2.652 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -28.353 3.060 -4.702 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -27.831 3.960 -3.259 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -26.746 2.760 -3.999 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -28.936 0.696 -4.554 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -27.375 0.267 -3.815 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -28.896 -0.157 -2.993 1.00 2.98 H new ATOM 99 N MET A 8 -25.271 1.957 -2.127 1.00 3.37 N ATOM 100 CA MET A 8 -23.918 1.465 -2.344 1.00 3.71 C ATOM 101 C MET A 8 -23.327 0.891 -1.063 1.00 3.85 C ATOM 102 O MET A 8 -22.533 -0.046 -1.113 1.00 4.12 O ATOM 103 CB MET A 8 -23.025 2.570 -2.905 1.00 4.00 C ATOM 104 CG MET A 8 -23.201 2.759 -4.401 1.00 4.07 C ATOM 105 SD MET A 8 -22.482 4.297 -5.010 1.00 4.46 S ATOM 106 CE MET A 8 -20.763 4.087 -4.546 1.00 5.17 C ATOM 0 H MET A 8 -25.385 2.961 -2.267 1.00 3.37 H new ATOM 0 HA MET A 8 -23.969 0.660 -3.077 1.00 3.71 H new ATOM 0 HB2 MET A 8 -23.249 3.507 -2.395 1.00 4.00 H new ATOM 0 HB3 MET A 8 -21.983 2.333 -2.693 1.00 4.00 H new ATOM 0 HG2 MET A 8 -22.743 1.919 -4.924 1.00 4.07 H new ATOM 0 HG3 MET A 8 -24.264 2.742 -4.641 1.00 4.07 H new ATOM 0 HE1 MET A 8 -20.168 4.890 -4.980 1.00 5.17 H new ATOM 0 HE2 MET A 8 -20.673 4.115 -3.460 1.00 5.17 H new ATOM 0 HE3 MET A 8 -20.401 3.127 -4.915 1.00 5.17 H new ATOM 116 N GLN A 9 -23.722 1.444 0.085 1.00 3.77 N ATOM 117 CA GLN A 9 -23.322 0.876 1.366 1.00 4.01 C ATOM 118 C GLN A 9 -23.830 -0.552 1.484 1.00 3.96 C ATOM 119 O GLN A 9 -23.047 -1.467 1.722 1.00 4.33 O ATOM 120 CB GLN A 9 -23.829 1.721 2.541 1.00 4.00 C ATOM 121 CG GLN A 9 -23.043 3.007 2.750 1.00 4.36 C ATOM 122 CD GLN A 9 -21.561 2.757 2.967 1.00 4.96 C ATOM 123 OE1 GLN A 9 -20.778 2.723 2.017 1.00 5.38 O ATOM 124 NE2 GLN A 9 -21.166 2.581 4.220 1.00 5.37 N ATOM 0 H GLN A 9 -24.311 2.274 0.151 1.00 3.77 H new ATOM 0 HA GLN A 9 -22.233 0.874 1.407 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -24.877 1.969 2.374 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -23.784 1.125 3.453 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -23.175 3.654 1.883 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -23.448 3.540 3.610 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -21.846 2.617 4.979 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -20.182 2.410 4.425 1.00 5.37 H new ATOM 133 N LEU A 10 -25.139 -0.743 1.292 1.00 3.56 N ATOM 134 CA LEU A 10 -25.728 -2.086 1.322 1.00 3.52 C ATOM 135 C LEU A 10 -25.048 -2.970 0.292 1.00 3.65 C ATOM 136 O LEU A 10 -24.715 -4.121 0.563 1.00 3.90 O ATOM 137 CB LEU A 10 -27.221 -2.084 0.972 1.00 3.15 C ATOM 138 CG LEU A 10 -28.097 -0.971 1.527 1.00 3.03 C ATOM 139 CD1 LEU A 10 -29.534 -1.225 1.131 1.00 2.85 C ATOM 140 CD2 LEU A 10 -27.981 -0.863 3.035 1.00 3.23 C ATOM 0 H LEU A 10 -25.806 0.008 1.116 1.00 3.56 H new ATOM 0 HA LEU A 10 -25.592 -2.453 2.339 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -27.306 -2.062 -0.114 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -27.641 -3.033 1.306 1.00 3.15 H new ATOM 0 HG LEU A 10 -27.757 -0.025 1.107 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -30.166 -0.430 1.526 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -29.614 -1.245 0.044 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -29.859 -2.183 1.537 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -28.622 -0.057 3.392 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -28.291 -1.803 3.492 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -26.947 -0.652 3.306 1.00 3.23 H new ATOM 152 N ALA A 11 -24.839 -2.391 -0.882 1.00 3.56 N ATOM 153 CA ALA A 11 -24.356 -3.119 -2.048 1.00 3.74 C ATOM 154 C ALA A 11 -22.974 -3.715 -1.810 1.00 4.22 C ATOM 155 O ALA A 11 -22.758 -4.906 -2.039 1.00 4.46 O ATOM 156 CB ALA A 11 -24.334 -2.193 -3.260 1.00 3.71 C ATOM 0 H ALA A 11 -25.000 -1.399 -1.054 1.00 3.56 H new ATOM 0 HA ALA A 11 -25.039 -3.948 -2.235 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -23.972 -2.741 -4.130 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -25.341 -1.826 -3.456 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -23.673 -1.350 -3.062 1.00 3.71 H new ATOM 162 N GLU A 12 -22.052 -2.891 -1.329 1.00 4.41 N ATOM 163 CA GLU A 12 -20.690 -3.335 -1.054 1.00 4.92 C ATOM 164 C GLU A 12 -20.665 -4.457 -0.019 1.00 5.14 C ATOM 165 O GLU A 12 -19.771 -5.302 -0.030 1.00 5.60 O ATOM 166 CB GLU A 12 -19.829 -2.172 -0.569 1.00 5.13 C ATOM 167 CG GLU A 12 -19.543 -1.130 -1.638 1.00 5.27 C ATOM 168 CD GLU A 12 -18.723 -1.686 -2.786 1.00 5.79 C ATOM 169 OE1 GLU A 12 -17.514 -1.928 -2.600 1.00 6.27 O ATOM 170 OE2 GLU A 12 -19.290 -1.899 -3.878 1.00 5.95 O ATOM 0 H GLU A 12 -22.223 -1.907 -1.120 1.00 4.41 H new ATOM 0 HA GLU A 12 -20.281 -3.719 -1.989 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -20.328 -1.689 0.271 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -18.883 -2.564 -0.195 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -20.486 -0.742 -2.024 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -19.012 -0.290 -1.190 1.00 5.27 H new ATOM 177 N MET A 13 -21.654 -4.473 0.869 1.00 4.88 N ATOM 178 CA MET A 13 -21.711 -5.482 1.917 1.00 5.14 C ATOM 179 C MET A 13 -22.892 -6.429 1.731 1.00 4.89 C ATOM 180 O MET A 13 -23.453 -6.929 2.710 1.00 5.03 O ATOM 181 CB MET A 13 -21.760 -4.843 3.309 1.00 5.20 C ATOM 182 CG MET A 13 -22.815 -3.765 3.461 1.00 4.86 C ATOM 183 SD MET A 13 -22.912 -3.130 5.146 1.00 5.10 S ATOM 184 CE MET A 13 -24.139 -1.841 4.950 1.00 5.16 C ATOM 0 H MET A 13 -22.422 -3.802 0.883 1.00 4.88 H new ATOM 0 HA MET A 13 -20.794 -6.066 1.837 1.00 5.14 H new ATOM 0 HB2 MET A 13 -21.944 -5.623 4.048 1.00 5.20 H new ATOM 0 HB3 MET A 13 -20.783 -4.414 3.534 1.00 5.20 H new ATOM 0 HG2 MET A 13 -22.593 -2.944 2.779 1.00 4.86 H new ATOM 0 HG3 MET A 13 -23.786 -4.167 3.171 1.00 4.86 H new ATOM 0 HE1 MET A 13 -24.323 -1.364 5.913 1.00 5.16 H new ATOM 0 HE2 MET A 13 -23.776 -1.098 4.240 1.00 5.16 H new ATOM 0 HE3 MET A 13 -25.067 -2.275 4.577 1.00 5.16 H new ATOM 194 N GLY A 14 -23.284 -6.672 0.487 1.00 4.62 N ATOM 195 CA GLY A 14 -24.299 -7.672 0.234 1.00 4.51 C ATOM 196 C GLY A 14 -25.372 -7.234 -0.743 1.00 4.38 C ATOM 197 O GLY A 14 -26.329 -6.564 -0.356 1.00 4.75 O ATOM 0 H GLY A 14 -22.922 -6.200 -0.341 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -23.819 -8.572 -0.150 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -24.771 -7.941 1.179 1.00 4.51 H new ATOM 201 N PHE A 15 -25.194 -7.626 -2.010 1.00 4.09 N ATOM 202 CA PHE A 15 -26.224 -7.497 -3.052 1.00 4.04 C ATOM 203 C PHE A 15 -26.419 -6.057 -3.533 1.00 3.73 C ATOM 204 O PHE A 15 -26.511 -5.123 -2.739 1.00 3.48 O ATOM 205 CB PHE A 15 -27.571 -8.060 -2.578 1.00 4.10 C ATOM 206 CG PHE A 15 -27.554 -9.530 -2.270 1.00 4.27 C ATOM 207 CD1 PHE A 15 -27.631 -10.466 -3.287 1.00 4.60 C ATOM 208 CD2 PHE A 15 -27.447 -9.976 -0.962 1.00 4.36 C ATOM 209 CE1 PHE A 15 -27.605 -11.819 -3.009 1.00 5.01 C ATOM 210 CE2 PHE A 15 -27.417 -11.327 -0.677 1.00 4.78 C ATOM 211 CZ PHE A 15 -27.544 -12.250 -1.700 1.00 5.09 C ATOM 0 H PHE A 15 -24.326 -8.045 -2.345 1.00 4.09 H new ATOM 0 HA PHE A 15 -25.858 -8.081 -3.896 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -27.884 -7.518 -1.686 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -28.321 -7.870 -3.346 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -27.712 -10.134 -4.311 1.00 4.60 H new ATOM 0 HD2 PHE A 15 -27.386 -9.259 -0.157 1.00 4.36 H new ATOM 0 HE1 PHE A 15 -27.632 -12.538 -3.815 1.00 5.01 H new ATOM 0 HE2 PHE A 15 -27.295 -11.662 0.342 1.00 4.78 H new ATOM 0 HZ PHE A 15 -27.595 -13.305 -1.474 1.00 5.09 H new ATOM 221 N PRO A 16 -26.480 -5.877 -4.863 1.00 3.83 N ATOM 222 CA PRO A 16 -26.840 -4.594 -5.479 1.00 3.69 C ATOM 223 C PRO A 16 -28.308 -4.246 -5.224 1.00 3.43 C ATOM 224 O PRO A 16 -29.184 -4.512 -6.052 1.00 3.52 O ATOM 225 CB PRO A 16 -26.603 -4.832 -6.973 1.00 4.05 C ATOM 226 CG PRO A 16 -26.702 -6.308 -7.147 1.00 4.25 C ATOM 227 CD PRO A 16 -26.190 -6.911 -5.871 1.00 4.22 C ATOM 0 HA PRO A 16 -26.261 -3.763 -5.076 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -27.346 -4.312 -7.578 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -25.625 -4.463 -7.282 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -27.732 -6.610 -7.335 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -26.111 -6.641 -8.000 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -26.694 -7.850 -5.640 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -25.123 -7.128 -5.929 1.00 4.22 H new ATOM 235 N LEU A 17 -28.568 -3.661 -4.066 1.00 3.19 N ATOM 236 CA LEU A 17 -29.929 -3.396 -3.621 1.00 3.02 C ATOM 237 C LEU A 17 -30.495 -2.111 -4.230 1.00 3.04 C ATOM 238 O LEU A 17 -30.739 -1.132 -3.523 1.00 2.93 O ATOM 239 CB LEU A 17 -29.972 -3.342 -2.084 1.00 2.86 C ATOM 240 CG LEU A 17 -29.572 -4.647 -1.391 1.00 2.99 C ATOM 241 CD1 LEU A 17 -29.607 -4.488 0.116 1.00 3.21 C ATOM 242 CD2 LEU A 17 -30.486 -5.780 -1.822 1.00 3.29 C ATOM 0 H LEU A 17 -27.848 -3.358 -3.411 1.00 3.19 H new ATOM 0 HA LEU A 17 -30.562 -4.212 -3.969 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -29.310 -2.546 -1.742 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -30.981 -3.074 -1.771 1.00 2.86 H new ATOM 0 HG LEU A 17 -28.552 -4.890 -1.688 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -29.319 -5.428 0.588 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -28.912 -3.704 0.415 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -30.615 -4.218 0.430 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -30.187 -6.700 -1.320 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -31.515 -5.539 -1.555 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -30.413 -5.916 -2.901 1.00 3.29 H new ATOM 254 N GLU A 18 -30.709 -2.107 -5.549 1.00 3.30 N ATOM 255 CA GLU A 18 -31.348 -0.976 -6.211 1.00 3.51 C ATOM 256 C GLU A 18 -32.715 -0.681 -5.594 1.00 3.51 C ATOM 257 O GLU A 18 -33.259 0.411 -5.756 1.00 3.70 O ATOM 258 CB GLU A 18 -31.508 -1.212 -7.707 1.00 3.90 C ATOM 259 CG GLU A 18 -31.454 0.084 -8.495 1.00 4.24 C ATOM 260 CD GLU A 18 -32.160 0.007 -9.829 1.00 4.90 C ATOM 261 OE1 GLU A 18 -33.401 -0.017 -9.846 1.00 5.09 O ATOM 262 OE2 GLU A 18 -31.466 -0.066 -10.866 1.00 5.48 O ATOM 0 H GLU A 18 -30.449 -2.871 -6.173 1.00 3.30 H new ATOM 0 HA GLU A 18 -30.694 -0.116 -6.066 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -30.721 -1.881 -8.055 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -32.458 -1.712 -7.896 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -31.902 0.880 -7.901 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -30.412 0.357 -8.659 1.00 4.24 H new ATOM 269 N ALA A 19 -33.275 -1.665 -4.900 1.00 3.41 N ATOM 270 CA ALA A 19 -34.488 -1.456 -4.127 1.00 3.49 C ATOM 271 C ALA A 19 -34.263 -0.366 -3.092 1.00 3.32 C ATOM 272 O ALA A 19 -35.166 0.388 -2.769 1.00 3.54 O ATOM 273 CB ALA A 19 -34.915 -2.741 -3.454 1.00 3.45 C ATOM 0 H ALA A 19 -32.906 -2.615 -4.858 1.00 3.41 H new ATOM 0 HA ALA A 19 -35.284 -1.142 -4.802 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -35.825 -2.566 -2.880 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -35.104 -3.502 -4.211 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -34.124 -3.082 -2.786 1.00 3.45 H new ATOM 279 N CYS A 20 -33.032 -0.289 -2.603 1.00 3.03 N ATOM 280 CA CYS A 20 -32.621 0.769 -1.685 1.00 2.94 C ATOM 281 C CYS A 20 -32.516 2.070 -2.443 1.00 3.13 C ATOM 282 O CYS A 20 -32.937 3.115 -1.969 1.00 3.27 O ATOM 283 CB CYS A 20 -31.256 0.474 -1.075 1.00 2.73 C ATOM 284 SG CYS A 20 -30.764 1.653 0.205 1.00 2.75 S ATOM 0 H CYS A 20 -32.292 -0.954 -2.829 1.00 3.03 H new ATOM 0 HA CYS A 20 -33.365 0.830 -0.890 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -31.267 -0.529 -0.648 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -30.506 0.475 -1.866 1.00 2.73 H new ATOM 0 HG CYS A 20 -29.938 2.521 -0.299 1.00 2.75 H new ATOM 290 N ARG A 21 -31.923 1.981 -3.619 1.00 3.24 N ATOM 291 CA ARG A 21 -31.775 3.124 -4.514 1.00 3.55 C ATOM 292 C ARG A 21 -33.140 3.799 -4.738 1.00 3.89 C ATOM 293 O ARG A 21 -33.313 5.009 -4.501 1.00 4.07 O ATOM 294 CB ARG A 21 -31.153 2.618 -5.825 1.00 3.75 C ATOM 295 CG ARG A 21 -30.826 3.674 -6.864 1.00 4.17 C ATOM 296 CD ARG A 21 -29.892 3.098 -7.917 1.00 4.74 C ATOM 297 NE ARG A 21 -29.480 4.076 -8.919 1.00 5.08 N ATOM 298 CZ ARG A 21 -29.476 3.836 -10.232 1.00 5.56 C ATOM 299 NH1 ARG A 21 -29.909 2.670 -10.700 1.00 5.80 N ATOM 300 NH2 ARG A 21 -29.034 4.760 -11.075 1.00 6.10 N ATOM 0 H ARG A 21 -31.528 1.115 -3.985 1.00 3.24 H new ATOM 0 HA ARG A 21 -31.120 3.880 -4.082 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -30.236 2.080 -5.584 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -31.837 1.897 -6.273 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -31.743 4.029 -7.335 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -30.360 4.535 -6.385 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -29.006 2.696 -7.426 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -30.387 2.264 -8.415 1.00 4.74 H new ATOM 0 HE ARG A 21 -29.178 4.996 -8.597 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -30.246 1.955 -10.055 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -29.905 2.490 -11.704 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -28.697 5.655 -10.720 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -29.031 4.576 -12.078 1.00 6.10 H new ATOM 314 N LYS A 22 -34.119 3.000 -5.136 1.00 4.03 N ATOM 315 CA LYS A 22 -35.472 3.498 -5.335 1.00 4.43 C ATOM 316 C LYS A 22 -36.147 3.788 -3.995 1.00 4.38 C ATOM 317 O LYS A 22 -37.051 4.611 -3.918 1.00 4.73 O ATOM 318 CB LYS A 22 -36.295 2.495 -6.151 1.00 4.63 C ATOM 319 CG LYS A 22 -36.515 1.160 -5.459 1.00 4.60 C ATOM 320 CD LYS A 22 -37.077 0.104 -6.402 1.00 4.73 C ATOM 321 CE LYS A 22 -36.009 -0.459 -7.333 1.00 4.49 C ATOM 322 NZ LYS A 22 -35.683 0.465 -8.454 1.00 4.77 N ATOM 0 H LYS A 22 -34.002 2.005 -5.327 1.00 4.03 H new ATOM 0 HA LYS A 22 -35.415 4.433 -5.893 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -37.265 2.938 -6.378 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -35.794 2.320 -7.103 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -35.570 0.808 -5.045 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -37.199 1.296 -4.621 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -37.513 -0.707 -5.819 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -37.882 0.539 -6.995 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -35.104 -0.664 -6.761 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -36.351 -1.411 -7.739 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -35.277 -0.077 -9.244 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -36.549 0.944 -8.772 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -34.994 1.174 -8.130 1.00 4.77 H new ATOM 336 N ALA A 23 -35.696 3.112 -2.938 1.00 4.00 N ATOM 337 CA ALA A 23 -36.223 3.340 -1.594 1.00 4.00 C ATOM 338 C ALA A 23 -35.824 4.713 -1.089 1.00 4.05 C ATOM 339 O ALA A 23 -36.626 5.412 -0.484 1.00 4.34 O ATOM 340 CB ALA A 23 -35.730 2.278 -0.625 1.00 3.66 C ATOM 0 H ALA A 23 -34.966 2.401 -2.988 1.00 4.00 H new ATOM 0 HA ALA A 23 -37.310 3.282 -1.652 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -36.138 2.473 0.367 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -36.057 1.295 -0.965 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -34.641 2.303 -0.581 1.00 3.66 H new ATOM 346 N VAL A 24 -34.576 5.089 -1.329 1.00 3.82 N ATOM 347 CA VAL A 24 -34.107 6.418 -0.969 1.00 3.90 C ATOM 348 C VAL A 24 -34.981 7.467 -1.636 1.00 4.37 C ATOM 349 O VAL A 24 -35.424 8.417 -0.993 1.00 4.58 O ATOM 350 CB VAL A 24 -32.634 6.650 -1.370 1.00 3.69 C ATOM 351 CG1 VAL A 24 -32.193 8.058 -1.006 1.00 3.86 C ATOM 352 CG2 VAL A 24 -31.724 5.627 -0.711 1.00 3.33 C ATOM 0 H VAL A 24 -33.873 4.495 -1.769 1.00 3.82 H new ATOM 0 HA VAL A 24 -34.172 6.502 0.116 1.00 3.90 H new ATOM 0 HB VAL A 24 -32.559 6.531 -2.451 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -31.152 8.200 -1.297 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -32.818 8.782 -1.529 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -32.292 8.204 0.070 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -30.692 5.812 -1.010 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -31.809 5.709 0.373 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -32.018 4.625 -1.023 1.00 3.33 H new ATOM 362 N TYR A 25 -35.256 7.278 -2.922 1.00 4.58 N ATOM 363 CA TYR A 25 -36.188 8.157 -3.616 1.00 5.10 C ATOM 364 C TYR A 25 -37.585 8.069 -2.990 1.00 5.36 C ATOM 365 O TYR A 25 -38.219 9.089 -2.722 1.00 5.71 O ATOM 366 CB TYR A 25 -36.264 7.821 -5.110 1.00 5.32 C ATOM 367 CG TYR A 25 -37.274 8.667 -5.856 1.00 5.87 C ATOM 368 CD1 TYR A 25 -36.990 9.986 -6.196 1.00 6.18 C ATOM 369 CD2 TYR A 25 -38.501 8.142 -6.240 1.00 6.12 C ATOM 370 CE1 TYR A 25 -37.904 10.755 -6.892 1.00 6.71 C ATOM 371 CE2 TYR A 25 -39.418 8.903 -6.940 1.00 6.65 C ATOM 372 CZ TYR A 25 -39.143 10.236 -7.194 1.00 6.94 C ATOM 373 OH TYR A 25 -40.023 10.969 -7.962 1.00 7.48 O ATOM 0 H TYR A 25 -34.854 6.537 -3.496 1.00 4.58 H new ATOM 0 HA TYR A 25 -35.816 9.176 -3.512 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -35.280 7.960 -5.558 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -36.522 6.769 -5.227 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -36.041 10.416 -5.912 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -38.743 7.120 -5.987 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -37.647 11.759 -7.198 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -40.341 8.462 -7.286 1.00 6.65 H new ATOM 0 HH TYR A 25 -40.852 10.461 -8.085 1.00 7.48 H new ATOM 383 N PHE A 26 -38.042 6.844 -2.748 1.00 5.24 N ATOM 384 CA PHE A 26 -39.391 6.596 -2.235 1.00 5.55 C ATOM 385 C PHE A 26 -39.587 7.177 -0.833 1.00 5.56 C ATOM 386 O PHE A 26 -40.670 7.661 -0.506 1.00 5.98 O ATOM 387 CB PHE A 26 -39.681 5.089 -2.227 1.00 5.42 C ATOM 388 CG PHE A 26 -41.112 4.744 -1.928 1.00 5.81 C ATOM 389 CD1 PHE A 26 -42.069 4.796 -2.930 1.00 6.32 C ATOM 390 CD2 PHE A 26 -41.500 4.363 -0.654 1.00 5.81 C ATOM 391 CE1 PHE A 26 -43.388 4.476 -2.665 1.00 6.79 C ATOM 392 CE2 PHE A 26 -42.817 4.043 -0.384 1.00 6.37 C ATOM 393 CZ PHE A 26 -43.762 4.099 -1.390 1.00 6.84 C ATOM 0 H PHE A 26 -37.493 5.998 -2.900 1.00 5.24 H new ATOM 0 HA PHE A 26 -40.094 7.099 -2.899 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -39.413 4.673 -3.198 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -39.040 4.610 -1.487 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -41.781 5.090 -3.929 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -40.766 4.316 0.136 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -44.124 4.521 -3.454 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -43.107 3.749 0.614 1.00 6.37 H new ATOM 0 HZ PHE A 26 -44.791 3.848 -1.180 1.00 6.84 H new ATOM 403 N THR A 27 -38.545 7.123 -0.006 1.00 5.14 N ATOM 404 CA THR A 27 -38.618 7.673 1.342 1.00 5.20 C ATOM 405 C THR A 27 -38.710 9.194 1.296 1.00 5.47 C ATOM 406 O THR A 27 -39.175 9.834 2.240 1.00 5.71 O ATOM 407 CB THR A 27 -37.401 7.276 2.209 1.00 4.75 C ATOM 408 OG1 THR A 27 -36.179 7.638 1.556 1.00 4.44 O ATOM 409 CG2 THR A 27 -37.401 5.786 2.497 1.00 4.59 C ATOM 0 H THR A 27 -37.646 6.706 -0.246 1.00 5.14 H new ATOM 0 HA THR A 27 -39.515 7.253 1.797 1.00 5.20 H new ATOM 0 HB THR A 27 -37.477 7.815 3.153 1.00 4.75 H new ATOM 0 HG1 THR A 27 -36.377 7.988 0.662 1.00 4.44 H new ATOM 0 HG21 THR A 27 -36.535 5.534 3.108 1.00 4.59 H new ATOM 0 HG22 THR A 27 -38.313 5.519 3.032 1.00 4.59 H new ATOM 0 HG23 THR A 27 -37.356 5.234 1.558 1.00 4.59 H new ATOM 417 N GLY A 28 -38.282 9.760 0.177 1.00 5.48 N ATOM 418 CA GLY A 28 -38.243 11.197 0.039 1.00 5.75 C ATOM 419 C GLY A 28 -36.889 11.754 0.412 1.00 5.44 C ATOM 420 O GLY A 28 -36.782 12.905 0.835 1.00 5.64 O ATOM 0 H GLY A 28 -37.960 9.244 -0.641 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -38.479 11.471 -0.989 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -39.009 11.645 0.672 1.00 5.75 H new ATOM 424 N ASN A 29 -35.856 10.928 0.238 1.00 5.01 N ATOM 425 CA ASN A 29 -34.483 11.293 0.584 1.00 4.73 C ATOM 426 C ASN A 29 -34.358 11.519 2.084 1.00 4.74 C ATOM 427 O ASN A 29 -33.889 12.562 2.536 1.00 4.97 O ATOM 428 CB ASN A 29 -34.030 12.545 -0.183 1.00 4.95 C ATOM 429 CG ASN A 29 -34.040 12.360 -1.687 1.00 4.86 C ATOM 430 OD1 ASN A 29 -33.821 11.262 -2.197 1.00 4.99 O ATOM 431 ND2 ASN A 29 -34.297 13.438 -2.409 1.00 5.06 N ATOM 0 H ASN A 29 -35.948 9.988 -0.147 1.00 5.01 H new ATOM 0 HA ASN A 29 -33.833 10.467 0.295 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -34.682 13.379 0.078 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -33.023 12.815 0.137 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -34.319 13.377 -3.427 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -34.473 14.331 -1.948 1.00 5.06 H new ATOM 438 N MET A 30 -34.782 10.526 2.855 1.00 4.58 N ATOM 439 CA MET A 30 -34.781 10.634 4.310 1.00 4.71 C ATOM 440 C MET A 30 -33.408 10.331 4.901 1.00 4.46 C ATOM 441 O MET A 30 -33.148 10.632 6.067 1.00 4.65 O ATOM 442 CB MET A 30 -35.831 9.706 4.922 1.00 4.89 C ATOM 443 CG MET A 30 -37.252 10.227 4.787 1.00 5.35 C ATOM 444 SD MET A 30 -37.488 11.807 5.621 1.00 5.80 S ATOM 445 CE MET A 30 -39.223 12.109 5.288 1.00 6.28 C ATOM 0 H MET A 30 -35.131 9.636 2.498 1.00 4.58 H new ATOM 0 HA MET A 30 -35.031 11.666 4.556 1.00 4.71 H new ATOM 0 HB2 MET A 30 -35.764 8.729 4.444 1.00 4.89 H new ATOM 0 HB3 MET A 30 -35.605 9.560 5.978 1.00 4.89 H new ATOM 0 HG2 MET A 30 -37.497 10.337 3.731 1.00 5.35 H new ATOM 0 HG3 MET A 30 -37.945 9.494 5.200 1.00 5.35 H new ATOM 0 HE1 MET A 30 -39.521 13.054 5.741 1.00 6.28 H new ATOM 0 HE2 MET A 30 -39.384 12.156 4.211 1.00 6.28 H new ATOM 0 HE3 MET A 30 -39.820 11.300 5.709 1.00 6.28 H new ATOM 455 N GLY A 31 -32.528 9.740 4.104 1.00 4.17 N ATOM 456 CA GLY A 31 -31.191 9.442 4.579 1.00 4.03 C ATOM 457 C GLY A 31 -30.810 7.990 4.377 1.00 3.77 C ATOM 458 O GLY A 31 -31.646 7.170 3.992 1.00 3.68 O ATOM 0 H GLY A 31 -32.715 9.462 3.140 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -30.475 10.077 4.058 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -31.123 9.687 5.639 1.00 4.03 H new ATOM 462 N ALA A 32 -29.548 7.680 4.657 1.00 3.73 N ATOM 463 CA ALA A 32 -29.016 6.334 4.476 1.00 3.58 C ATOM 464 C ALA A 32 -29.640 5.361 5.468 1.00 3.72 C ATOM 465 O ALA A 32 -30.083 4.276 5.093 1.00 3.56 O ATOM 466 CB ALA A 32 -27.501 6.346 4.626 1.00 3.73 C ATOM 0 H ALA A 32 -28.868 8.351 5.014 1.00 3.73 H new ATOM 0 HA ALA A 32 -29.270 5.998 3.471 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -27.114 5.336 4.489 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -27.066 7.006 3.876 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -27.237 6.704 5.621 1.00 3.73 H new ATOM 472 N GLU A 33 -29.670 5.758 6.734 1.00 4.10 N ATOM 473 CA GLU A 33 -30.238 4.945 7.793 1.00 4.38 C ATOM 474 C GLU A 33 -31.667 4.527 7.462 1.00 4.28 C ATOM 475 O GLU A 33 -32.021 3.354 7.554 1.00 4.30 O ATOM 476 CB GLU A 33 -30.230 5.739 9.089 1.00 4.91 C ATOM 477 CG GLU A 33 -30.481 4.885 10.305 1.00 5.11 C ATOM 478 CD GLU A 33 -30.614 5.700 11.569 1.00 5.12 C ATOM 479 OE1 GLU A 33 -31.715 6.233 11.827 1.00 5.46 O ATOM 480 OE2 GLU A 33 -29.625 5.805 12.321 1.00 5.09 O ATOM 0 H GLU A 33 -29.300 6.654 7.052 1.00 4.10 H new ATOM 0 HA GLU A 33 -29.635 4.043 7.898 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -29.268 6.240 9.196 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -30.990 6.518 9.036 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -31.391 4.303 10.155 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -29.663 4.174 10.420 1.00 5.11 H new ATOM 487 N VAL A 34 -32.475 5.502 7.063 1.00 4.27 N ATOM 488 CA VAL A 34 -33.880 5.269 6.760 1.00 4.34 C ATOM 489 C VAL A 34 -34.044 4.262 5.623 1.00 4.01 C ATOM 490 O VAL A 34 -34.933 3.412 5.656 1.00 4.11 O ATOM 491 CB VAL A 34 -34.591 6.592 6.401 1.00 4.54 C ATOM 492 CG1 VAL A 34 -36.034 6.348 5.988 1.00 4.83 C ATOM 493 CG2 VAL A 34 -34.532 7.561 7.573 1.00 4.88 C ATOM 0 H VAL A 34 -32.177 6.470 6.941 1.00 4.27 H new ATOM 0 HA VAL A 34 -34.342 4.853 7.655 1.00 4.34 H new ATOM 0 HB VAL A 34 -34.069 7.034 5.552 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -36.508 7.298 5.741 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -36.057 5.694 5.116 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -36.573 5.877 6.810 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -35.037 8.489 7.304 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -35.025 7.117 8.438 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -33.491 7.773 7.818 1.00 4.88 H new ATOM 503 N ALA A 35 -33.176 4.343 4.626 1.00 3.68 N ATOM 504 CA ALA A 35 -33.252 3.440 3.490 1.00 3.42 C ATOM 505 C ALA A 35 -32.692 2.061 3.828 1.00 3.28 C ATOM 506 O ALA A 35 -33.177 1.053 3.318 1.00 3.21 O ATOM 507 CB ALA A 35 -32.542 4.023 2.291 1.00 3.22 C ATOM 0 H ALA A 35 -32.415 5.021 4.581 1.00 3.68 H new ATOM 0 HA ALA A 35 -34.306 3.317 3.242 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -32.613 3.329 1.453 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -33.007 4.970 2.018 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -31.493 4.191 2.535 1.00 3.22 H new ATOM 513 N PHE A 36 -31.668 2.022 4.676 1.00 3.36 N ATOM 514 CA PHE A 36 -31.161 0.757 5.202 1.00 3.45 C ATOM 515 C PHE A 36 -32.304 0.016 5.898 1.00 3.68 C ATOM 516 O PHE A 36 -32.510 -1.184 5.703 1.00 3.69 O ATOM 517 CB PHE A 36 -30.008 1.009 6.180 1.00 3.70 C ATOM 518 CG PHE A 36 -29.606 -0.202 6.976 1.00 3.98 C ATOM 519 CD1 PHE A 36 -28.875 -1.226 6.393 1.00 3.93 C ATOM 520 CD2 PHE A 36 -29.962 -0.319 8.310 1.00 4.38 C ATOM 521 CE1 PHE A 36 -28.507 -2.339 7.123 1.00 4.29 C ATOM 522 CE2 PHE A 36 -29.600 -1.431 9.046 1.00 4.71 C ATOM 523 CZ PHE A 36 -28.872 -2.442 8.451 1.00 4.66 C ATOM 0 H PHE A 36 -31.174 2.848 5.013 1.00 3.36 H new ATOM 0 HA PHE A 36 -30.779 0.147 4.383 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -29.143 1.368 5.622 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -30.296 1.804 6.868 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -28.590 -1.152 5.354 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -30.530 0.470 8.781 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -27.935 -3.127 6.656 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -29.886 -1.509 10.085 1.00 4.71 H new ATOM 0 HZ PHE A 36 -28.588 -3.313 9.024 1.00 4.66 H new ATOM 533 N ASN A 37 -33.062 0.758 6.692 1.00 3.94 N ATOM 534 CA ASN A 37 -34.237 0.220 7.355 1.00 4.25 C ATOM 535 C ASN A 37 -35.302 -0.156 6.333 1.00 4.16 C ATOM 536 O ASN A 37 -35.954 -1.195 6.451 1.00 4.35 O ATOM 537 CB ASN A 37 -34.804 1.242 8.341 1.00 4.57 C ATOM 538 CG ASN A 37 -33.949 1.413 9.584 1.00 5.25 C ATOM 539 OD1 ASN A 37 -32.736 1.216 9.557 1.00 5.69 O ATOM 540 ND2 ASN A 37 -34.576 1.801 10.684 1.00 5.66 N ATOM 0 H ASN A 37 -32.881 1.742 6.893 1.00 3.94 H new ATOM 0 HA ASN A 37 -33.942 -0.676 7.901 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -34.902 2.205 7.840 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -35.807 0.934 8.637 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -34.051 1.946 11.546 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -35.584 1.955 10.669 1.00 5.66 H new ATOM 547 N TRP A 38 -35.459 0.678 5.313 1.00 3.97 N ATOM 548 CA TRP A 38 -36.483 0.458 4.306 1.00 4.01 C ATOM 549 C TRP A 38 -36.206 -0.829 3.536 1.00 3.81 C ATOM 550 O TRP A 38 -37.134 -1.547 3.155 1.00 4.02 O ATOM 551 CB TRP A 38 -36.556 1.641 3.333 1.00 3.96 C ATOM 552 CG TRP A 38 -37.917 1.816 2.725 1.00 4.29 C ATOM 553 CD1 TRP A 38 -38.339 1.373 1.505 1.00 4.58 C ATOM 554 CD2 TRP A 38 -39.036 2.485 3.316 1.00 4.67 C ATOM 555 NE1 TRP A 38 -39.653 1.721 1.305 1.00 4.88 N ATOM 556 CE2 TRP A 38 -40.102 2.407 2.403 1.00 4.93 C ATOM 557 CE3 TRP A 38 -39.238 3.142 4.533 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -41.351 2.960 2.669 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -40.479 3.692 4.794 1.00 5.81 C ATOM 560 CH2 TRP A 38 -41.522 3.597 3.867 1.00 5.87 C ATOM 0 H TRP A 38 -34.890 1.511 5.163 1.00 3.97 H new ATOM 0 HA TRP A 38 -37.442 0.368 4.816 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -36.279 2.555 3.859 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -35.825 1.496 2.538 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -37.729 0.828 0.800 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -40.204 1.504 0.475 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -38.439 3.219 5.256 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -42.157 2.889 1.954 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -40.646 4.204 5.730 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -42.481 4.035 4.102 1.00 5.87 H new ATOM 571 N ILE A 39 -34.926 -1.125 3.328 1.00 3.49 N ATOM 572 CA ILE A 39 -34.536 -2.284 2.542 1.00 3.34 C ATOM 573 C ILE A 39 -34.723 -3.576 3.324 1.00 3.60 C ATOM 574 O ILE A 39 -35.193 -4.571 2.781 1.00 3.69 O ATOM 575 CB ILE A 39 -33.075 -2.177 2.035 1.00 3.04 C ATOM 576 CG1 ILE A 39 -32.878 -3.067 0.812 1.00 2.98 C ATOM 577 CG2 ILE A 39 -32.064 -2.564 3.109 1.00 3.21 C ATOM 578 CD1 ILE A 39 -33.804 -2.728 -0.330 1.00 3.10 C ATOM 0 H ILE A 39 -34.146 -0.578 3.693 1.00 3.49 H new ATOM 0 HA ILE A 39 -35.194 -2.305 1.673 1.00 3.34 H new ATOM 0 HB ILE A 39 -32.902 -1.134 1.771 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -31.846 -2.981 0.471 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -33.033 -4.107 1.100 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -31.055 -2.474 2.708 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -32.174 -1.902 3.968 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -32.240 -3.594 3.420 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -33.610 -3.399 -1.167 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -34.838 -2.842 -0.006 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -33.633 -1.698 -0.644 1.00 3.10 H new ATOM 590 N ILE A 40 -34.379 -3.557 4.600 1.00 3.82 N ATOM 591 CA ILE A 40 -34.498 -4.751 5.420 1.00 4.18 C ATOM 592 C ILE A 40 -35.963 -5.090 5.664 1.00 4.46 C ATOM 593 O ILE A 40 -36.315 -6.239 5.932 1.00 4.72 O ATOM 594 CB ILE A 40 -33.714 -4.614 6.747 1.00 4.46 C ATOM 595 CG1 ILE A 40 -34.255 -3.484 7.627 1.00 4.61 C ATOM 596 CG2 ILE A 40 -32.236 -4.397 6.448 1.00 4.32 C ATOM 597 CD1 ILE A 40 -35.368 -3.922 8.556 1.00 5.04 C ATOM 0 H ILE A 40 -34.018 -2.737 5.087 1.00 3.82 H new ATOM 0 HA ILE A 40 -34.048 -5.580 4.873 1.00 4.18 H new ATOM 0 HB ILE A 40 -33.843 -5.540 7.307 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -33.438 -3.073 8.220 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -34.621 -2.680 6.988 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -31.686 -4.301 7.384 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -31.850 -5.247 5.886 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -32.113 -3.487 5.860 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -35.703 -3.071 9.149 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -36.202 -4.306 7.969 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -35.001 -4.705 9.220 1.00 5.04 H new ATOM 609 N VAL A 41 -36.817 -4.085 5.563 1.00 4.47 N ATOM 610 CA VAL A 41 -38.253 -4.306 5.600 1.00 4.80 C ATOM 611 C VAL A 41 -38.761 -4.810 4.247 1.00 4.72 C ATOM 612 O VAL A 41 -39.572 -5.734 4.183 1.00 5.04 O ATOM 613 CB VAL A 41 -39.027 -3.027 5.987 1.00 4.99 C ATOM 614 CG1 VAL A 41 -40.527 -3.274 5.955 1.00 5.34 C ATOM 615 CG2 VAL A 41 -38.606 -2.538 7.361 1.00 5.37 C ATOM 0 H VAL A 41 -36.541 -3.109 5.455 1.00 4.47 H new ATOM 0 HA VAL A 41 -38.433 -5.062 6.365 1.00 4.80 H new ATOM 0 HB VAL A 41 -38.787 -2.255 5.256 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -41.052 -2.360 6.231 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -40.825 -3.575 4.951 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -40.781 -4.065 6.661 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -39.164 -1.636 7.613 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -38.812 -3.311 8.101 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -37.539 -2.315 7.357 1.00 5.37 H new ATOM 625 N HIS A 42 -38.259 -4.222 3.162 1.00 4.36 N ATOM 626 CA HIS A 42 -38.784 -4.510 1.827 1.00 4.38 C ATOM 627 C HIS A 42 -37.902 -5.480 1.054 1.00 4.19 C ATOM 628 O HIS A 42 -37.977 -5.560 -0.168 1.00 4.21 O ATOM 629 CB HIS A 42 -38.969 -3.218 1.032 1.00 4.29 C ATOM 630 CG HIS A 42 -40.120 -2.398 1.521 1.00 4.59 C ATOM 631 ND1 HIS A 42 -39.998 -1.418 2.482 1.00 4.88 N ATOM 632 CD2 HIS A 42 -41.430 -2.437 1.190 1.00 5.00 C ATOM 633 CE1 HIS A 42 -41.185 -0.892 2.721 1.00 5.32 C ATOM 634 NE2 HIS A 42 -42.069 -1.492 1.949 1.00 5.35 N ATOM 0 H HIS A 42 -37.494 -3.547 3.180 1.00 4.36 H new ATOM 0 HA HIS A 42 -39.753 -4.990 1.964 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -38.056 -2.626 1.091 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -39.123 -3.462 -0.019 1.00 4.29 H new ATOM 0 HD1 HIS A 42 -39.128 -1.142 2.937 1.00 4.88 H new ATOM 0 HD2 HIS A 42 -41.888 -3.091 0.463 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -41.396 -0.104 3.429 1.00 5.32 H new ATOM 643 N MET A 43 -37.063 -6.210 1.771 1.00 4.14 N ATOM 644 CA MET A 43 -36.277 -7.287 1.177 1.00 4.14 C ATOM 645 C MET A 43 -37.196 -8.386 0.643 1.00 4.46 C ATOM 646 O MET A 43 -36.806 -9.186 -0.204 1.00 4.53 O ATOM 647 CB MET A 43 -35.290 -7.862 2.196 1.00 4.26 C ATOM 648 CG MET A 43 -35.937 -8.327 3.494 1.00 4.64 C ATOM 649 SD MET A 43 -34.755 -9.080 4.625 1.00 4.92 S ATOM 650 CE MET A 43 -34.179 -10.455 3.630 1.00 5.73 C ATOM 0 H MET A 43 -36.906 -6.078 2.770 1.00 4.14 H new ATOM 0 HA MET A 43 -35.707 -6.876 0.344 1.00 4.14 H new ATOM 0 HB2 MET A 43 -34.765 -8.703 1.743 1.00 4.26 H new ATOM 0 HB3 MET A 43 -34.540 -7.105 2.427 1.00 4.26 H new ATOM 0 HG2 MET A 43 -36.412 -7.477 3.984 1.00 4.64 H new ATOM 0 HG3 MET A 43 -36.725 -9.045 3.266 1.00 4.64 H new ATOM 0 HE1 MET A 43 -33.812 -11.247 4.282 1.00 5.73 H new ATOM 0 HE2 MET A 43 -35.002 -10.836 3.025 1.00 5.73 H new ATOM 0 HE3 MET A 43 -33.373 -10.119 2.977 1.00 5.73 H new ATOM 1066 N GLN A 76 16.096 0.645 1.222 1.00 5.05 N ATOM 1067 CA GLN A 76 17.236 0.827 0.357 1.00 4.93 C ATOM 1068 C GLN A 76 18.045 2.010 0.866 1.00 4.67 C ATOM 1069 O GLN A 76 17.469 3.012 1.292 1.00 4.88 O ATOM 1070 CB GLN A 76 16.785 1.085 -1.082 1.00 5.47 C ATOM 1071 CG GLN A 76 17.922 1.021 -2.090 1.00 5.74 C ATOM 1072 CD GLN A 76 17.534 1.507 -3.475 1.00 6.61 C ATOM 1073 OE1 GLN A 76 18.050 1.018 -4.480 1.00 7.14 O ATOM 1074 NE2 GLN A 76 16.647 2.485 -3.537 1.00 7.04 N ATOM 0 HA GLN A 76 17.845 -0.077 0.364 1.00 4.93 H new ATOM 0 HB2 GLN A 76 16.026 0.352 -1.354 1.00 5.47 H new ATOM 0 HB3 GLN A 76 16.315 2.067 -1.137 1.00 5.47 H new ATOM 0 HG2 GLN A 76 18.755 1.621 -1.724 1.00 5.74 H new ATOM 0 HG3 GLN A 76 18.276 -0.007 -2.161 1.00 5.74 H new ATOM 0 HE21 GLN A 76 16.243 2.862 -2.680 1.00 7.04 H new ATOM 0 HE22 GLN A 76 16.366 2.862 -4.442 1.00 7.04 H new ATOM 1083 N PRO A 77 19.385 1.906 0.858 1.00 4.45 N ATOM 1084 CA PRO A 77 20.266 2.986 1.306 1.00 4.52 C ATOM 1085 C PRO A 77 19.965 4.314 0.620 1.00 5.11 C ATOM 1086 O PRO A 77 19.372 4.351 -0.461 1.00 5.41 O ATOM 1087 CB PRO A 77 21.648 2.496 0.900 1.00 4.27 C ATOM 1088 CG PRO A 77 21.539 1.028 0.910 1.00 4.17 C ATOM 1089 CD PRO A 77 20.153 0.725 0.424 1.00 4.44 C ATOM 0 HA PRO A 77 20.152 3.183 2.372 1.00 4.52 H new ATOM 0 HB2 PRO A 77 21.926 2.866 -0.087 1.00 4.27 H new ATOM 0 HB3 PRO A 77 22.412 2.842 1.597 1.00 4.27 H new ATOM 0 HG2 PRO A 77 22.290 0.574 0.263 1.00 4.17 H new ATOM 0 HG3 PRO A 77 21.699 0.630 1.912 1.00 4.17 H new ATOM 0 HD2 PRO A 77 20.123 0.599 -0.658 1.00 4.44 H new ATOM 0 HD3 PRO A 77 19.763 -0.194 0.862 1.00 4.44 H new ATOM 1097 N PRO A 78 20.391 5.419 1.237 1.00 5.63 N ATOM 1098 CA PRO A 78 20.159 6.760 0.710 1.00 6.52 C ATOM 1099 C PRO A 78 20.896 6.963 -0.602 1.00 6.80 C ATOM 1100 O PRO A 78 22.128 6.965 -0.634 1.00 6.74 O ATOM 1101 CB PRO A 78 20.716 7.677 1.804 1.00 7.14 C ATOM 1102 CG PRO A 78 21.711 6.837 2.519 1.00 6.55 C ATOM 1103 CD PRO A 78 21.168 5.446 2.483 1.00 5.69 C ATOM 0 HA PRO A 78 19.109 6.955 0.490 1.00 6.52 H new ATOM 0 HB2 PRO A 78 21.180 8.567 1.378 1.00 7.14 H new ATOM 0 HB3 PRO A 78 19.928 8.018 2.476 1.00 7.14 H new ATOM 0 HG2 PRO A 78 22.686 6.889 2.035 1.00 6.55 H new ATOM 0 HG3 PRO A 78 21.846 7.178 3.545 1.00 6.55 H new ATOM 0 HD2 PRO A 78 21.965 4.703 2.476 1.00 5.69 H new ATOM 0 HD3 PRO A 78 20.544 5.235 3.351 1.00 5.69 H new ATOM 1111 N GLU A 79 20.133 7.114 -1.681 1.00 7.24 N ATOM 1112 CA GLU A 79 20.694 7.283 -3.011 1.00 7.85 C ATOM 1113 C GLU A 79 21.618 8.487 -3.044 1.00 8.62 C ATOM 1114 O GLU A 79 22.566 8.525 -3.822 1.00 8.98 O ATOM 1115 CB GLU A 79 19.578 7.448 -4.035 1.00 8.51 C ATOM 1116 CG GLU A 79 18.787 8.723 -3.855 1.00 9.18 C ATOM 1117 CD GLU A 79 17.567 8.774 -4.741 1.00 9.68 C ATOM 1118 OE1 GLU A 79 17.702 9.156 -5.920 1.00 9.76 O ATOM 1119 OE2 GLU A 79 16.468 8.420 -4.266 1.00 10.13 O ATOM 0 H GLU A 79 19.113 7.122 -1.655 1.00 7.24 H new ATOM 0 HA GLU A 79 21.272 6.393 -3.262 1.00 7.85 H new ATOM 0 HB2 GLU A 79 20.008 7.433 -5.037 1.00 8.51 H new ATOM 0 HB3 GLU A 79 18.902 6.596 -3.966 1.00 8.51 H new ATOM 0 HG2 GLU A 79 18.480 8.812 -2.813 1.00 9.18 H new ATOM 0 HG3 GLU A 79 19.427 9.578 -4.073 1.00 9.18 H new ATOM 1126 N GLU A 80 21.333 9.459 -2.190 1.00 9.00 N ATOM 1127 CA GLU A 80 22.199 10.608 -2.022 1.00 9.80 C ATOM 1128 C GLU A 80 23.596 10.151 -1.621 1.00 9.30 C ATOM 1129 O GLU A 80 24.587 10.521 -2.244 1.00 9.74 O ATOM 1130 CB GLU A 80 21.607 11.544 -0.963 1.00 10.33 C ATOM 1131 CG GLU A 80 22.639 12.323 -0.162 1.00 10.80 C ATOM 1132 CD GLU A 80 22.008 13.154 0.934 1.00 11.40 C ATOM 1133 OE1 GLU A 80 21.643 14.318 0.677 1.00 11.61 O ATOM 1134 OE2 GLU A 80 21.864 12.642 2.063 1.00 11.78 O ATOM 0 H GLU A 80 20.501 9.471 -1.600 1.00 9.00 H new ATOM 0 HA GLU A 80 22.275 11.150 -2.965 1.00 9.80 H new ATOM 0 HB2 GLU A 80 20.938 12.251 -1.454 1.00 10.33 H new ATOM 0 HB3 GLU A 80 21.000 10.956 -0.275 1.00 10.33 H new ATOM 0 HG2 GLU A 80 23.354 11.628 0.278 1.00 10.80 H new ATOM 0 HG3 GLU A 80 23.199 12.975 -0.832 1.00 10.80 H new ATOM 1141 N ILE A 81 23.657 9.308 -0.604 1.00 8.42 N ATOM 1142 CA ILE A 81 24.925 8.857 -0.071 1.00 7.96 C ATOM 1143 C ILE A 81 25.577 7.813 -0.959 1.00 7.34 C ATOM 1144 O ILE A 81 26.781 7.873 -1.184 1.00 7.45 O ATOM 1145 CB ILE A 81 24.779 8.300 1.348 1.00 7.44 C ATOM 1146 CG1 ILE A 81 24.422 9.426 2.317 1.00 8.39 C ATOM 1147 CG2 ILE A 81 26.063 7.607 1.767 1.00 6.94 C ATOM 1148 CD1 ILE A 81 24.208 8.947 3.733 1.00 8.28 C ATOM 0 H ILE A 81 22.839 8.923 -0.132 1.00 8.42 H new ATOM 0 HA ILE A 81 25.569 9.736 -0.039 1.00 7.96 H new ATOM 0 HB ILE A 81 23.973 7.566 1.367 1.00 7.44 H new ATOM 0 HG12 ILE A 81 25.219 10.170 2.309 1.00 8.39 H new ATOM 0 HG13 ILE A 81 23.517 9.924 1.968 1.00 8.39 H new ATOM 0 HG21 ILE A 81 25.951 7.214 2.777 1.00 6.94 H new ATOM 0 HG22 ILE A 81 26.275 6.788 1.080 1.00 6.94 H new ATOM 0 HG23 ILE A 81 26.886 8.321 1.745 1.00 6.94 H new ATOM 0 HD11 ILE A 81 23.958 9.795 4.370 1.00 8.28 H new ATOM 0 HD12 ILE A 81 23.392 8.225 3.753 1.00 8.28 H new ATOM 0 HD13 ILE A 81 25.120 8.475 4.099 1.00 8.28 H new ATOM 1160 N VAL A 82 24.795 6.860 -1.464 1.00 6.83 N ATOM 1161 CA VAL A 82 25.342 5.851 -2.361 1.00 6.55 C ATOM 1162 C VAL A 82 26.019 6.558 -3.526 1.00 7.54 C ATOM 1163 O VAL A 82 27.085 6.153 -3.978 1.00 7.57 O ATOM 1164 CB VAL A 82 24.271 4.860 -2.886 1.00 6.32 C ATOM 1165 CG1 VAL A 82 23.462 4.266 -1.745 1.00 5.50 C ATOM 1166 CG2 VAL A 82 23.357 5.512 -3.911 1.00 7.25 C ATOM 0 H VAL A 82 23.798 6.768 -1.270 1.00 6.83 H new ATOM 0 HA VAL A 82 26.059 5.253 -1.798 1.00 6.55 H new ATOM 0 HB VAL A 82 24.802 4.048 -3.384 1.00 6.32 H new ATOM 0 HG11 VAL A 82 22.720 3.576 -2.146 1.00 5.50 H new ATOM 0 HG12 VAL A 82 24.127 3.730 -1.068 1.00 5.50 H new ATOM 0 HG13 VAL A 82 22.958 5.065 -1.202 1.00 5.50 H new ATOM 0 HG21 VAL A 82 22.620 4.786 -4.255 1.00 7.25 H new ATOM 0 HG22 VAL A 82 22.846 6.360 -3.455 1.00 7.25 H new ATOM 0 HG23 VAL A 82 23.949 5.858 -4.758 1.00 7.25 H new ATOM 1176 N ALA A 83 25.388 7.648 -3.962 1.00 8.43 N ATOM 1177 CA ALA A 83 25.919 8.522 -4.990 1.00 9.53 C ATOM 1178 C ALA A 83 27.253 9.110 -4.555 1.00 9.70 C ATOM 1179 O ALA A 83 28.232 9.050 -5.292 1.00 10.09 O ATOM 1180 CB ALA A 83 24.923 9.629 -5.256 1.00 10.39 C ATOM 0 H ALA A 83 24.482 7.947 -3.602 1.00 8.43 H new ATOM 0 HA ALA A 83 26.084 7.948 -5.902 1.00 9.53 H new ATOM 0 HB1 ALA A 83 25.313 10.292 -6.028 1.00 10.39 H new ATOM 0 HB2 ALA A 83 23.980 9.197 -5.591 1.00 10.39 H new ATOM 0 HB3 ALA A 83 24.757 10.197 -4.340 1.00 10.39 H new ATOM 1186 N ILE A 84 27.286 9.656 -3.346 1.00 9.53 N ATOM 1187 CA ILE A 84 28.495 10.247 -2.796 1.00 9.80 C ATOM 1188 C ILE A 84 29.612 9.211 -2.710 1.00 9.04 C ATOM 1189 O ILE A 84 30.756 9.489 -3.050 1.00 9.43 O ATOM 1190 CB ILE A 84 28.223 10.835 -1.394 1.00 9.84 C ATOM 1191 CG1 ILE A 84 27.234 11.998 -1.496 1.00 10.78 C ATOM 1192 CG2 ILE A 84 29.522 11.291 -0.739 1.00 10.13 C ATOM 1193 CD1 ILE A 84 26.374 12.182 -0.269 1.00 10.71 C ATOM 0 H ILE A 84 26.479 9.701 -2.724 1.00 9.53 H new ATOM 0 HA ILE A 84 28.809 11.050 -3.463 1.00 9.80 H new ATOM 0 HB ILE A 84 27.785 10.057 -0.769 1.00 9.84 H new ATOM 0 HG12 ILE A 84 27.789 12.918 -1.680 1.00 10.78 H new ATOM 0 HG13 ILE A 84 26.588 11.838 -2.359 1.00 10.78 H new ATOM 0 HG21 ILE A 84 29.307 11.702 0.248 1.00 10.13 H new ATOM 0 HG22 ILE A 84 30.197 10.441 -0.639 1.00 10.13 H new ATOM 0 HG23 ILE A 84 29.992 12.057 -1.357 1.00 10.13 H new ATOM 0 HD11 ILE A 84 25.700 13.025 -0.420 1.00 10.71 H new ATOM 0 HD12 ILE A 84 25.790 11.278 -0.095 1.00 10.71 H new ATOM 0 HD13 ILE A 84 27.010 12.375 0.595 1.00 10.71 H new ATOM 1205 N ILE A 85 29.260 8.011 -2.280 1.00 8.01 N ATOM 1206 CA ILE A 85 30.223 6.940 -2.115 1.00 7.27 C ATOM 1207 C ILE A 85 30.829 6.526 -3.450 1.00 7.66 C ATOM 1208 O ILE A 85 32.048 6.396 -3.574 1.00 7.73 O ATOM 1209 CB ILE A 85 29.575 5.726 -1.441 1.00 6.22 C ATOM 1210 CG1 ILE A 85 29.039 6.125 -0.069 1.00 6.07 C ATOM 1211 CG2 ILE A 85 30.577 4.592 -1.321 1.00 5.61 C ATOM 1212 CD1 ILE A 85 28.235 5.044 0.613 1.00 5.25 C ATOM 0 H ILE A 85 28.303 7.754 -2.037 1.00 8.01 H new ATOM 0 HA ILE A 85 31.022 7.317 -1.477 1.00 7.27 H new ATOM 0 HB ILE A 85 28.743 5.377 -2.053 1.00 6.22 H new ATOM 0 HG12 ILE A 85 29.877 6.399 0.572 1.00 6.07 H new ATOM 0 HG13 ILE A 85 28.417 7.013 -0.177 1.00 6.07 H new ATOM 0 HG21 ILE A 85 30.102 3.737 -0.840 1.00 5.61 H new ATOM 0 HG22 ILE A 85 30.922 4.305 -2.314 1.00 5.61 H new ATOM 0 HG23 ILE A 85 31.427 4.919 -0.722 1.00 5.61 H new ATOM 0 HD11 ILE A 85 27.889 5.404 1.582 1.00 5.25 H new ATOM 0 HD12 ILE A 85 27.376 4.785 -0.005 1.00 5.25 H new ATOM 0 HD13 ILE A 85 28.859 4.162 0.755 1.00 5.25 H new ATOM 1224 N THR A 86 29.992 6.334 -4.456 1.00 8.07 N ATOM 1225 CA THR A 86 30.501 5.996 -5.775 1.00 8.77 C ATOM 1226 C THR A 86 31.177 7.210 -6.426 1.00 9.82 C ATOM 1227 O THR A 86 32.025 7.061 -7.308 1.00 10.38 O ATOM 1228 CB THR A 86 29.424 5.362 -6.703 1.00 9.14 C ATOM 1229 OG1 THR A 86 29.888 5.294 -8.053 1.00 10.16 O ATOM 1230 CG2 THR A 86 28.102 6.099 -6.657 1.00 9.36 C ATOM 0 H THR A 86 28.977 6.404 -4.389 1.00 8.07 H new ATOM 0 HA THR A 86 31.256 5.223 -5.633 1.00 8.77 H new ATOM 0 HB THR A 86 29.253 4.354 -6.324 1.00 9.14 H new ATOM 0 HG1 THR A 86 30.712 4.765 -8.089 1.00 10.16 H new ATOM 0 HG21 THR A 86 27.390 5.612 -7.324 1.00 9.36 H new ATOM 0 HG22 THR A 86 27.713 6.086 -5.639 1.00 9.36 H new ATOM 0 HG23 THR A 86 28.249 7.131 -6.975 1.00 9.36 H new ATOM 1238 N SER A 87 30.836 8.410 -5.957 1.00 10.16 N ATOM 1239 CA SER A 87 31.533 9.624 -6.380 1.00 11.17 C ATOM 1240 C SER A 87 32.885 9.738 -5.673 1.00 10.93 C ATOM 1241 O SER A 87 33.756 10.497 -6.097 1.00 11.68 O ATOM 1242 CB SER A 87 30.682 10.864 -6.096 1.00 11.77 C ATOM 1243 OG SER A 87 29.458 10.821 -6.814 1.00 12.35 O ATOM 0 H SER A 87 30.084 8.567 -5.286 1.00 10.16 H new ATOM 0 HA SER A 87 31.704 9.561 -7.455 1.00 11.17 H new ATOM 0 HB2 SER A 87 30.478 10.931 -5.027 1.00 11.77 H new ATOM 0 HB3 SER A 87 31.237 11.761 -6.372 1.00 11.77 H new ATOM 0 HG SER A 87 28.952 10.024 -6.550 1.00 12.35 H new ATOM 1249 N MET A 88 33.046 8.988 -4.581 1.00 9.91 N ATOM 1250 CA MET A 88 34.330 8.899 -3.888 1.00 9.62 C ATOM 1251 C MET A 88 35.277 8.015 -4.685 1.00 9.52 C ATOM 1252 O MET A 88 36.499 8.136 -4.588 1.00 9.66 O ATOM 1253 CB MET A 88 34.161 8.314 -2.483 1.00 8.63 C ATOM 1254 CG MET A 88 33.406 9.214 -1.518 1.00 8.93 C ATOM 1255 SD MET A 88 34.237 10.790 -1.230 1.00 10.15 S ATOM 1256 CE MET A 88 35.754 10.237 -0.449 1.00 10.33 C ATOM 0 H MET A 88 32.302 8.433 -4.158 1.00 9.91 H new ATOM 0 HA MET A 88 34.738 9.906 -3.798 1.00 9.62 H new ATOM 0 HB2 MET A 88 33.637 7.362 -2.559 1.00 8.63 H new ATOM 0 HB3 MET A 88 35.147 8.103 -2.069 1.00 8.63 H new ATOM 0 HG2 MET A 88 32.407 9.402 -1.911 1.00 8.93 H new ATOM 0 HG3 MET A 88 33.282 8.696 -0.567 1.00 8.93 H new ATOM 0 HE1 MET A 88 36.231 11.077 0.056 1.00 10.33 H new ATOM 0 HE2 MET A 88 35.526 9.458 0.279 1.00 10.33 H new ATOM 0 HE3 MET A 88 36.429 9.839 -1.207 1.00 10.33 H new ATOM 1266 N GLY A 89 34.692 7.122 -5.467 1.00 9.41 N ATOM 1267 CA GLY A 89 35.467 6.200 -6.264 1.00 9.53 C ATOM 1268 C GLY A 89 34.978 4.775 -6.119 1.00 8.82 C ATOM 1269 O GLY A 89 35.501 3.862 -6.757 1.00 9.04 O ATOM 0 H GLY A 89 33.682 7.020 -5.563 1.00 9.41 H new ATOM 0 HA2 GLY A 89 35.417 6.496 -7.312 1.00 9.53 H new ATOM 0 HA3 GLY A 89 36.514 6.256 -5.967 1.00 9.53 H new ATOM 1273 N PHE A 90 33.967 4.584 -5.280 1.00 8.10 N ATOM 1274 CA PHE A 90 33.426 3.257 -5.023 1.00 7.50 C ATOM 1275 C PHE A 90 32.267 2.956 -5.966 1.00 8.05 C ATOM 1276 O PHE A 90 31.994 3.719 -6.889 1.00 8.89 O ATOM 1277 CB PHE A 90 32.989 3.152 -3.558 1.00 6.45 C ATOM 1278 CG PHE A 90 34.127 3.388 -2.606 1.00 6.07 C ATOM 1279 CD1 PHE A 90 35.303 2.668 -2.714 1.00 5.98 C ATOM 1280 CD2 PHE A 90 34.011 4.326 -1.591 1.00 6.07 C ATOM 1281 CE1 PHE A 90 36.345 2.880 -1.831 1.00 5.84 C ATOM 1282 CE2 PHE A 90 35.050 4.544 -0.705 1.00 5.89 C ATOM 1283 CZ PHE A 90 36.244 3.832 -0.860 1.00 5.76 C ATOM 0 H PHE A 90 33.505 5.334 -4.765 1.00 8.10 H new ATOM 0 HA PHE A 90 34.202 2.514 -5.208 1.00 7.50 H new ATOM 0 HB2 PHE A 90 32.199 3.878 -3.364 1.00 6.45 H new ATOM 0 HB3 PHE A 90 32.566 2.164 -3.377 1.00 6.45 H new ATOM 0 HD1 PHE A 90 35.408 1.932 -3.497 1.00 5.98 H new ATOM 0 HD2 PHE A 90 33.097 4.893 -1.491 1.00 6.07 H new ATOM 0 HE1 PHE A 90 37.245 2.288 -1.911 1.00 5.84 H new ATOM 0 HE2 PHE A 90 34.941 5.257 0.099 1.00 5.89 H new ATOM 0 HZ PHE A 90 37.084 4.036 -0.212 1.00 5.76 H new ATOM 1293 N GLN A 91 31.613 1.828 -5.751 1.00 7.71 N ATOM 1294 CA GLN A 91 30.474 1.429 -6.560 1.00 8.28 C ATOM 1295 C GLN A 91 29.176 1.814 -5.856 1.00 7.66 C ATOM 1296 O GLN A 91 29.108 1.741 -4.633 1.00 6.72 O ATOM 1297 CB GLN A 91 30.537 -0.083 -6.791 1.00 8.59 C ATOM 1298 CG GLN A 91 29.334 -0.670 -7.500 1.00 9.30 C ATOM 1299 CD GLN A 91 29.375 -2.186 -7.537 1.00 9.79 C ATOM 1300 OE1 GLN A 91 28.341 -2.847 -7.535 1.00 10.05 O ATOM 1301 NE2 GLN A 91 30.572 -2.748 -7.576 1.00 10.16 N ATOM 0 H GLN A 91 31.855 1.165 -5.014 1.00 7.71 H new ATOM 0 HA GLN A 91 30.502 1.940 -7.522 1.00 8.28 H new ATOM 0 HB2 GLN A 91 31.430 -0.310 -7.373 1.00 8.59 H new ATOM 0 HB3 GLN A 91 30.650 -0.579 -5.827 1.00 8.59 H new ATOM 0 HG2 GLN A 91 28.423 -0.345 -6.997 1.00 9.30 H new ATOM 0 HG3 GLN A 91 29.291 -0.284 -8.519 1.00 9.30 H new ATOM 0 HE21 GLN A 91 31.409 -2.165 -7.576 1.00 10.16 H new ATOM 0 HE22 GLN A 91 30.658 -3.764 -7.606 1.00 10.16 H new ATOM 1310 N ARG A 92 28.159 2.235 -6.606 1.00 8.25 N ATOM 1311 CA ARG A 92 26.864 2.592 -6.012 1.00 7.79 C ATOM 1312 C ARG A 92 26.315 1.424 -5.199 1.00 7.08 C ATOM 1313 O ARG A 92 26.006 1.565 -4.022 1.00 6.21 O ATOM 1314 CB ARG A 92 25.840 2.968 -7.082 1.00 8.69 C ATOM 1315 CG ARG A 92 24.488 3.329 -6.493 1.00 8.30 C ATOM 1316 CD ARG A 92 23.339 2.800 -7.330 1.00 8.98 C ATOM 1317 NE ARG A 92 23.222 3.468 -8.621 1.00 10.14 N ATOM 1318 CZ ARG A 92 22.098 3.508 -9.332 1.00 10.93 C ATOM 1319 NH1 ARG A 92 20.986 2.956 -8.859 1.00 10.74 N ATOM 1320 NH2 ARG A 92 22.083 4.108 -10.508 1.00 11.98 N ATOM 0 H ARG A 92 28.202 2.338 -7.620 1.00 8.25 H new ATOM 0 HA ARG A 92 27.032 3.454 -5.366 1.00 7.79 H new ATOM 0 HB2 ARG A 92 26.217 3.811 -7.661 1.00 8.69 H new ATOM 0 HB3 ARG A 92 25.720 2.135 -7.774 1.00 8.69 H new ATOM 0 HG2 ARG A 92 24.415 2.927 -5.483 1.00 8.30 H new ATOM 0 HG3 ARG A 92 24.407 4.413 -6.411 1.00 8.30 H new ATOM 0 HD2 ARG A 92 23.476 1.731 -7.491 1.00 8.98 H new ATOM 0 HD3 ARG A 92 22.407 2.922 -6.778 1.00 8.98 H new ATOM 0 HE ARG A 92 24.048 3.931 -9.000 1.00 10.14 H new ATOM 0 HH11 ARG A 92 20.991 2.499 -7.947 1.00 10.74 H new ATOM 0 HH12 ARG A 92 20.127 2.989 -9.408 1.00 10.74 H new ATOM 0 HH21 ARG A 92 22.933 4.540 -10.871 1.00 11.98 H new ATOM 0 HH22 ARG A 92 21.222 4.139 -11.054 1.00 11.98 H new ATOM 1334 N ASN A 93 26.205 0.274 -5.845 1.00 7.66 N ATOM 1335 CA ASN A 93 25.708 -0.942 -5.195 1.00 7.40 C ATOM 1336 C ASN A 93 26.587 -1.327 -4.008 1.00 6.66 C ATOM 1337 O ASN A 93 26.099 -1.802 -2.981 1.00 6.20 O ATOM 1338 CB ASN A 93 25.663 -2.084 -6.202 1.00 8.50 C ATOM 1339 CG ASN A 93 25.071 -3.360 -5.628 1.00 8.62 C ATOM 1340 OD1 ASN A 93 24.174 -3.324 -4.785 1.00 8.59 O ATOM 1341 ND2 ASN A 93 25.572 -4.496 -6.083 1.00 9.02 N ATOM 0 H ASN A 93 26.454 0.151 -6.826 1.00 7.66 H new ATOM 0 HA ASN A 93 24.702 -0.746 -4.824 1.00 7.40 H new ATOM 0 HB2 ASN A 93 25.076 -1.775 -7.067 1.00 8.50 H new ATOM 0 HB3 ASN A 93 26.673 -2.287 -6.558 1.00 8.50 H new ATOM 0 HD21 ASN A 93 25.216 -5.386 -5.735 1.00 9.02 H new ATOM 0 HD22 ASN A 93 26.315 -4.482 -6.782 1.00 9.02 H new ATOM 1348 N GLN A 94 27.883 -1.095 -4.151 1.00 6.68 N ATOM 1349 CA GLN A 94 28.837 -1.337 -3.079 1.00 6.08 C ATOM 1350 C GLN A 94 28.549 -0.397 -1.921 1.00 5.11 C ATOM 1351 O GLN A 94 28.601 -0.783 -0.751 1.00 4.70 O ATOM 1352 CB GLN A 94 30.258 -1.144 -3.615 1.00 6.39 C ATOM 1353 CG GLN A 94 31.311 -0.821 -2.569 1.00 5.72 C ATOM 1354 CD GLN A 94 32.707 -0.957 -3.127 1.00 6.13 C ATOM 1355 OE1 GLN A 94 33.269 -0.007 -3.669 1.00 6.28 O ATOM 1356 NE2 GLN A 94 33.270 -2.145 -3.013 1.00 6.56 N ATOM 0 H GLN A 94 28.302 -0.735 -5.009 1.00 6.68 H new ATOM 0 HA GLN A 94 28.744 -2.360 -2.715 1.00 6.08 H new ATOM 0 HB2 GLN A 94 30.557 -2.052 -4.139 1.00 6.39 H new ATOM 0 HB3 GLN A 94 30.244 -0.341 -4.352 1.00 6.39 H new ATOM 0 HG2 GLN A 94 31.162 0.195 -2.203 1.00 5.72 H new ATOM 0 HG3 GLN A 94 31.193 -1.488 -1.715 1.00 5.72 H new ATOM 0 HE21 GLN A 94 32.768 -2.906 -2.556 1.00 6.56 H new ATOM 0 HE22 GLN A 94 34.208 -2.303 -3.382 1.00 6.56 H new ATOM 1365 N ALA A 95 28.215 0.835 -2.272 1.00 5.10 N ATOM 1366 CA ALA A 95 27.798 1.831 -1.313 1.00 4.58 C ATOM 1367 C ALA A 95 26.510 1.396 -0.620 1.00 4.24 C ATOM 1368 O ALA A 95 26.350 1.589 0.582 1.00 3.93 O ATOM 1369 CB ALA A 95 27.611 3.163 -2.019 1.00 5.22 C ATOM 0 H ALA A 95 28.228 1.168 -3.236 1.00 5.10 H new ATOM 0 HA ALA A 95 28.567 1.942 -0.548 1.00 4.58 H new ATOM 0 HB1 ALA A 95 27.296 3.916 -1.297 1.00 5.22 H new ATOM 0 HB2 ALA A 95 28.553 3.468 -2.475 1.00 5.22 H new ATOM 0 HB3 ALA A 95 26.850 3.061 -2.792 1.00 5.22 H new ATOM 1375 N ILE A 96 25.599 0.792 -1.388 1.00 4.61 N ATOM 1376 CA ILE A 96 24.358 0.271 -0.830 1.00 4.48 C ATOM 1377 C ILE A 96 24.643 -0.777 0.238 1.00 4.45 C ATOM 1378 O ILE A 96 24.162 -0.670 1.364 1.00 4.33 O ATOM 1379 CB ILE A 96 23.440 -0.342 -1.920 1.00 5.19 C ATOM 1380 CG1 ILE A 96 22.610 0.747 -2.590 1.00 5.44 C ATOM 1381 CG2 ILE A 96 22.527 -1.409 -1.339 1.00 5.34 C ATOM 1382 CD1 ILE A 96 22.914 0.921 -4.055 1.00 6.39 C ATOM 0 H ILE A 96 25.701 0.654 -2.394 1.00 4.61 H new ATOM 0 HA ILE A 96 23.837 1.117 -0.382 1.00 4.48 H new ATOM 0 HB ILE A 96 24.080 -0.813 -2.666 1.00 5.19 H new ATOM 0 HG12 ILE A 96 21.553 0.510 -2.472 1.00 5.44 H new ATOM 0 HG13 ILE A 96 22.784 1.693 -2.076 1.00 5.44 H new ATOM 0 HG21 ILE A 96 21.897 -1.818 -2.129 1.00 5.34 H new ATOM 0 HG22 ILE A 96 23.130 -2.207 -0.906 1.00 5.34 H new ATOM 0 HG23 ILE A 96 21.898 -0.968 -0.565 1.00 5.34 H new ATOM 0 HD11 ILE A 96 22.286 1.712 -4.465 1.00 6.39 H new ATOM 0 HD12 ILE A 96 23.963 1.189 -4.180 1.00 6.39 H new ATOM 0 HD13 ILE A 96 22.713 -0.012 -4.582 1.00 6.39 H new ATOM 1394 N GLN A 97 25.444 -1.770 -0.119 1.00 4.95 N ATOM 1395 CA GLN A 97 25.802 -2.840 0.803 1.00 5.42 C ATOM 1396 C GLN A 97 26.429 -2.278 2.063 1.00 5.09 C ATOM 1397 O GLN A 97 26.091 -2.680 3.180 1.00 5.57 O ATOM 1398 CB GLN A 97 26.761 -3.816 0.141 1.00 6.13 C ATOM 1399 CG GLN A 97 27.135 -4.987 1.031 1.00 6.88 C ATOM 1400 CD GLN A 97 27.872 -6.085 0.282 1.00 7.78 C ATOM 1401 OE1 GLN A 97 28.712 -6.785 0.849 1.00 8.13 O ATOM 1402 NE2 GLN A 97 27.560 -6.253 -0.993 1.00 8.36 N ATOM 0 H GLN A 97 25.861 -1.858 -1.046 1.00 4.95 H new ATOM 0 HA GLN A 97 24.889 -3.369 1.074 1.00 5.42 H new ATOM 0 HB2 GLN A 97 26.308 -4.195 -0.775 1.00 6.13 H new ATOM 0 HB3 GLN A 97 27.668 -3.284 -0.148 1.00 6.13 H new ATOM 0 HG2 GLN A 97 27.760 -4.630 1.850 1.00 6.88 H new ATOM 0 HG3 GLN A 97 26.231 -5.402 1.477 1.00 6.88 H new ATOM 0 HE21 GLN A 97 26.859 -5.654 -1.430 1.00 8.36 H new ATOM 0 HE22 GLN A 97 28.020 -6.981 -1.539 1.00 8.36 H new ATOM 1411 N ALA A 98 27.333 -1.331 1.871 1.00 4.57 N ATOM 1412 CA ALA A 98 27.997 -0.683 2.979 1.00 4.55 C ATOM 1413 C ALA A 98 26.984 0.014 3.883 1.00 4.70 C ATOM 1414 O ALA A 98 26.937 -0.251 5.079 1.00 5.41 O ATOM 1415 CB ALA A 98 29.031 0.301 2.458 1.00 4.17 C ATOM 0 H ALA A 98 27.621 -0.996 0.952 1.00 4.57 H new ATOM 0 HA ALA A 98 28.507 -1.439 3.575 1.00 4.55 H new ATOM 0 HB1 ALA A 98 29.528 0.786 3.298 1.00 4.17 H new ATOM 0 HB2 ALA A 98 29.769 -0.231 1.858 1.00 4.17 H new ATOM 0 HB3 ALA A 98 28.539 1.055 1.843 1.00 4.17 H new ATOM 1421 N LEU A 99 26.143 0.867 3.299 1.00 4.31 N ATOM 1422 CA LEU A 99 25.131 1.590 4.066 1.00 4.67 C ATOM 1423 C LEU A 99 24.137 0.641 4.727 1.00 5.10 C ATOM 1424 O LEU A 99 23.620 0.930 5.797 1.00 5.77 O ATOM 1425 CB LEU A 99 24.371 2.564 3.177 1.00 4.44 C ATOM 1426 CG LEU A 99 25.208 3.681 2.566 1.00 4.61 C ATOM 1427 CD1 LEU A 99 24.419 4.407 1.502 1.00 4.82 C ATOM 1428 CD2 LEU A 99 25.654 4.653 3.633 1.00 5.40 C ATOM 0 H LEU A 99 26.143 1.073 2.300 1.00 4.31 H new ATOM 0 HA LEU A 99 25.660 2.140 4.845 1.00 4.67 H new ATOM 0 HB2 LEU A 99 23.901 2.002 2.370 1.00 4.44 H new ATOM 0 HB3 LEU A 99 23.568 3.013 3.762 1.00 4.44 H new ATOM 0 HG LEU A 99 26.091 3.236 2.108 1.00 4.61 H new ATOM 0 HD11 LEU A 99 25.030 5.202 1.075 1.00 4.82 H new ATOM 0 HD12 LEU A 99 24.136 3.706 0.717 1.00 4.82 H new ATOM 0 HD13 LEU A 99 23.521 4.838 1.945 1.00 4.82 H new ATOM 0 HD21 LEU A 99 26.251 5.444 3.178 1.00 5.40 H new ATOM 0 HD22 LEU A 99 24.780 5.090 4.116 1.00 5.40 H new ATOM 0 HD23 LEU A 99 26.254 4.128 4.376 1.00 5.40 H new ATOM 1440 N ARG A 100 23.854 -0.480 4.076 1.00 5.01 N ATOM 1441 CA ARG A 100 22.981 -1.501 4.654 1.00 5.73 C ATOM 1442 C ARG A 100 23.529 -1.966 5.988 1.00 6.63 C ATOM 1443 O ARG A 100 22.799 -2.107 6.967 1.00 7.33 O ATOM 1444 CB ARG A 100 22.857 -2.697 3.711 1.00 5.96 C ATOM 1445 CG ARG A 100 21.977 -2.432 2.501 1.00 5.58 C ATOM 1446 CD ARG A 100 22.084 -3.544 1.471 1.00 6.19 C ATOM 1447 NE ARG A 100 21.723 -4.852 2.017 1.00 6.32 N ATOM 1448 CZ ARG A 100 21.845 -5.996 1.345 1.00 7.08 C ATOM 1449 NH1 ARG A 100 22.305 -5.991 0.099 1.00 7.71 N ATOM 1450 NH2 ARG A 100 21.503 -7.145 1.911 1.00 7.36 N ATOM 0 H ARG A 100 24.214 -0.708 3.149 1.00 5.01 H new ATOM 0 HA ARG A 100 21.995 -1.061 4.802 1.00 5.73 H new ATOM 0 HB2 ARG A 100 23.852 -2.984 3.370 1.00 5.96 H new ATOM 0 HB3 ARG A 100 22.453 -3.545 4.265 1.00 5.96 H new ATOM 0 HG2 ARG A 100 20.940 -2.331 2.821 1.00 5.58 H new ATOM 0 HG3 ARG A 100 22.263 -1.485 2.044 1.00 5.58 H new ATOM 0 HD2 ARG A 100 21.435 -3.315 0.626 1.00 6.19 H new ATOM 0 HD3 ARG A 100 23.104 -3.583 1.088 1.00 6.19 H new ATOM 0 HE ARG A 100 21.356 -4.891 2.968 1.00 6.32 H new ATOM 0 HH11 ARG A 100 22.566 -5.110 -0.345 1.00 7.71 H new ATOM 0 HH12 ARG A 100 22.398 -6.868 -0.414 1.00 7.71 H new ATOM 0 HH21 ARG A 100 21.144 -7.156 2.866 1.00 7.36 H new ATOM 0 HH22 ARG A 100 21.599 -8.018 1.392 1.00 7.36 H new ATOM 1464 N ALA A 101 24.830 -2.182 6.016 1.00 6.70 N ATOM 1465 CA ALA A 101 25.510 -2.623 7.217 1.00 7.62 C ATOM 1466 C ALA A 101 25.654 -1.479 8.218 1.00 7.91 C ATOM 1467 O ALA A 101 25.469 -1.663 9.421 1.00 8.88 O ATOM 1468 CB ALA A 101 26.870 -3.174 6.837 1.00 7.61 C ATOM 0 H ALA A 101 25.443 -2.057 5.210 1.00 6.70 H new ATOM 0 HA ALA A 101 24.919 -3.404 7.697 1.00 7.62 H new ATOM 0 HB1 ALA A 101 27.391 -3.509 7.734 1.00 7.61 H new ATOM 0 HB2 ALA A 101 26.744 -4.015 6.155 1.00 7.61 H new ATOM 0 HB3 ALA A 101 27.455 -2.395 6.348 1.00 7.61 H new ATOM 1474 N THR A 102 25.979 -0.295 7.714 1.00 7.24 N ATOM 1475 CA THR A 102 26.267 0.856 8.551 1.00 7.76 C ATOM 1476 C THR A 102 25.013 1.617 8.980 1.00 8.12 C ATOM 1477 O THR A 102 25.107 2.598 9.714 1.00 8.79 O ATOM 1478 CB THR A 102 27.210 1.799 7.808 1.00 7.19 C ATOM 1479 OG1 THR A 102 26.541 2.411 6.695 1.00 6.44 O ATOM 1480 CG2 THR A 102 28.389 0.990 7.311 1.00 6.79 C ATOM 0 H THR A 102 26.050 -0.109 6.714 1.00 7.24 H new ATOM 0 HA THR A 102 26.734 0.480 9.461 1.00 7.76 H new ATOM 0 HB THR A 102 27.542 2.590 8.480 1.00 7.19 H new ATOM 0 HG1 THR A 102 26.889 3.317 6.562 1.00 6.44 H new ATOM 0 HG21 THR A 102 29.078 1.643 6.776 1.00 6.79 H new ATOM 0 HG22 THR A 102 28.903 0.537 8.159 1.00 6.79 H new ATOM 0 HG23 THR A 102 28.036 0.207 6.640 1.00 6.79 H new ATOM 1488 N ASN A 103 23.851 1.143 8.527 1.00 7.78 N ATOM 1489 CA ASN A 103 22.574 1.810 8.768 1.00 8.03 C ATOM 1490 C ASN A 103 22.565 3.196 8.136 1.00 7.69 C ATOM 1491 O ASN A 103 22.496 4.206 8.836 1.00 8.43 O ATOM 1492 CB ASN A 103 22.254 1.909 10.264 1.00 9.26 C ATOM 1493 CG ASN A 103 21.998 0.559 10.911 1.00 9.66 C ATOM 1494 OD1 ASN A 103 22.591 -0.454 10.537 1.00 10.09 O ATOM 1495 ND2 ASN A 103 21.101 0.533 11.881 1.00 9.74 N ATOM 0 H ASN A 103 23.771 0.284 7.982 1.00 7.78 H new ATOM 0 HA ASN A 103 21.799 1.201 8.303 1.00 8.03 H new ATOM 0 HB2 ASN A 103 23.083 2.398 10.775 1.00 9.26 H new ATOM 0 HB3 ASN A 103 21.377 2.542 10.400 1.00 9.26 H new ATOM 0 HD21 ASN A 103 20.879 -0.347 12.347 1.00 9.74 H new ATOM 0 HD22 ASN A 103 20.630 1.393 12.164 1.00 9.74 H new ATOM 1502 N ASN A 104 22.673 3.218 6.801 1.00 6.74 N ATOM 1503 CA ASN A 104 22.666 4.448 5.989 1.00 6.57 C ATOM 1504 C ASN A 104 23.653 5.489 6.519 1.00 7.31 C ATOM 1505 O ASN A 104 23.477 6.689 6.317 1.00 7.80 O ATOM 1506 CB ASN A 104 21.245 5.048 5.842 1.00 6.81 C ATOM 1507 CG ASN A 104 20.621 5.559 7.132 1.00 7.28 C ATOM 1508 OD1 ASN A 104 19.907 4.833 7.822 1.00 7.71 O ATOM 1509 ND2 ASN A 104 20.878 6.817 7.459 1.00 7.45 N ATOM 0 H ASN A 104 22.769 2.369 6.243 1.00 6.74 H new ATOM 0 HA ASN A 104 22.998 4.158 4.992 1.00 6.57 H new ATOM 0 HB2 ASN A 104 21.287 5.870 5.127 1.00 6.81 H new ATOM 0 HB3 ASN A 104 20.589 4.288 5.416 1.00 6.81 H new ATOM 0 HD21 ASN A 104 20.479 7.215 8.309 1.00 7.45 H new ATOM 0 HD22 ASN A 104 21.475 7.388 6.861 1.00 7.45 H new ATOM 1516 N ASN A 105 24.704 5.011 7.172 1.00 7.54 N ATOM 1517 CA ASN A 105 25.770 5.872 7.663 1.00 8.24 C ATOM 1518 C ASN A 105 26.816 6.024 6.576 1.00 7.62 C ATOM 1519 O ASN A 105 27.561 5.091 6.284 1.00 6.99 O ATOM 1520 CB ASN A 105 26.394 5.262 8.922 1.00 8.91 C ATOM 1521 CG ASN A 105 27.367 6.190 9.626 1.00 9.80 C ATOM 1522 OD1 ASN A 105 28.100 6.954 8.996 1.00 10.00 O ATOM 1523 ND2 ASN A 105 27.368 6.137 10.946 1.00 10.49 N ATOM 0 H ASN A 105 24.841 4.021 7.375 1.00 7.54 H new ATOM 0 HA ASN A 105 25.368 6.852 7.919 1.00 8.24 H new ATOM 0 HB2 ASN A 105 25.599 4.988 9.616 1.00 8.91 H new ATOM 0 HB3 ASN A 105 26.912 4.342 8.652 1.00 8.91 H new ATOM 0 HD21 ASN A 105 27.991 6.743 11.480 1.00 10.49 H new ATOM 0 HD22 ASN A 105 26.746 5.490 11.431 1.00 10.49 H new ATOM 1530 N LEU A 106 26.842 7.214 5.980 1.00 7.99 N ATOM 1531 CA LEU A 106 27.722 7.531 4.859 1.00 7.70 C ATOM 1532 C LEU A 106 29.175 7.224 5.190 1.00 7.69 C ATOM 1533 O LEU A 106 29.829 6.428 4.517 1.00 6.94 O ATOM 1534 CB LEU A 106 27.570 9.020 4.513 1.00 8.64 C ATOM 1535 CG LEU A 106 28.486 9.567 3.411 1.00 8.79 C ATOM 1536 CD1 LEU A 106 27.779 10.677 2.661 1.00 9.54 C ATOM 1537 CD2 LEU A 106 29.784 10.096 3.996 1.00 9.40 C ATOM 0 H LEU A 106 26.247 7.992 6.265 1.00 7.99 H new ATOM 0 HA LEU A 106 27.438 6.914 4.007 1.00 7.70 H new ATOM 0 HB2 LEU A 106 26.536 9.197 4.215 1.00 8.64 H new ATOM 0 HB3 LEU A 106 27.744 9.600 5.419 1.00 8.64 H new ATOM 0 HG LEU A 106 28.721 8.752 2.727 1.00 8.79 H new ATOM 0 HD11 LEU A 106 28.434 11.062 1.879 1.00 9.54 H new ATOM 0 HD12 LEU A 106 26.866 10.288 2.210 1.00 9.54 H new ATOM 0 HD13 LEU A 106 27.528 11.481 3.353 1.00 9.54 H new ATOM 0 HD21 LEU A 106 30.416 10.478 3.194 1.00 9.40 H new ATOM 0 HD22 LEU A 106 29.565 10.899 4.699 1.00 9.40 H new ATOM 0 HD23 LEU A 106 30.304 9.291 4.515 1.00 9.40 H new ATOM 1549 N GLU A 107 29.664 7.894 6.219 1.00 8.63 N ATOM 1550 CA GLU A 107 31.039 7.725 6.683 1.00 8.84 C ATOM 1551 C GLU A 107 31.363 6.271 6.979 1.00 8.19 C ATOM 1552 O GLU A 107 32.377 5.749 6.511 1.00 7.74 O ATOM 1553 CB GLU A 107 31.285 8.567 7.928 1.00 10.06 C ATOM 1554 CG GLU A 107 31.308 10.048 7.640 1.00 10.88 C ATOM 1555 CD GLU A 107 32.559 10.459 6.893 1.00 11.25 C ATOM 1556 OE1 GLU A 107 33.645 10.448 7.508 1.00 11.09 O ATOM 1557 OE2 GLU A 107 32.465 10.783 5.695 1.00 11.82 O ATOM 0 H GLU A 107 29.124 8.570 6.759 1.00 8.63 H new ATOM 0 HA GLU A 107 31.694 8.059 5.879 1.00 8.84 H new ATOM 0 HB2 GLU A 107 30.507 8.357 8.662 1.00 10.06 H new ATOM 0 HB3 GLU A 107 32.234 8.274 8.377 1.00 10.06 H new ATOM 0 HG2 GLU A 107 30.430 10.317 7.053 1.00 10.88 H new ATOM 0 HG3 GLU A 107 31.247 10.601 8.577 1.00 10.88 H new ATOM 1564 N ARG A 108 30.502 5.619 7.745 1.00 8.29 N ATOM 1565 CA ARG A 108 30.732 4.235 8.119 1.00 8.02 C ATOM 1566 C ARG A 108 30.646 3.325 6.902 1.00 6.88 C ATOM 1567 O ARG A 108 31.259 2.264 6.877 1.00 6.69 O ATOM 1568 CB ARG A 108 29.727 3.773 9.164 1.00 8.62 C ATOM 1569 CG ARG A 108 30.120 2.487 9.866 1.00 8.99 C ATOM 1570 CD ARG A 108 29.000 2.003 10.757 1.00 9.70 C ATOM 1571 NE ARG A 108 28.961 2.714 12.036 1.00 10.72 N ATOM 1572 CZ ARG A 108 27.843 3.037 12.684 1.00 11.45 C ATOM 1573 NH1 ARG A 108 26.656 2.774 12.151 1.00 11.31 N ATOM 1574 NH2 ARG A 108 27.911 3.631 13.868 1.00 12.41 N ATOM 0 H ARG A 108 29.643 6.024 8.117 1.00 8.29 H new ATOM 0 HA ARG A 108 31.734 4.176 8.543 1.00 8.02 H new ATOM 0 HB2 ARG A 108 29.604 4.559 9.909 1.00 8.62 H new ATOM 0 HB3 ARG A 108 28.758 3.633 8.685 1.00 8.62 H new ATOM 0 HG2 ARG A 108 30.361 1.722 9.127 1.00 8.99 H new ATOM 0 HG3 ARG A 108 31.019 2.651 10.460 1.00 8.99 H new ATOM 0 HD2 ARG A 108 28.048 2.132 10.243 1.00 9.70 H new ATOM 0 HD3 ARG A 108 29.120 0.935 10.941 1.00 9.70 H new ATOM 0 HE ARG A 108 29.850 2.980 12.460 1.00 10.72 H new ATOM 0 HH11 ARG A 108 26.595 2.321 11.239 1.00 11.31 H new ATOM 0 HH12 ARG A 108 25.804 3.024 12.654 1.00 11.31 H new ATOM 0 HH21 ARG A 108 28.819 3.840 14.282 1.00 12.41 H new ATOM 0 HH22 ARG A 108 27.055 3.878 14.364 1.00 12.41 H new ATOM 1588 N ALA A 109 29.859 3.723 5.908 1.00 6.30 N ATOM 1589 CA ALA A 109 29.761 2.965 4.676 1.00 5.34 C ATOM 1590 C ALA A 109 31.109 2.938 3.985 1.00 5.09 C ATOM 1591 O ALA A 109 31.618 1.884 3.635 1.00 4.76 O ATOM 1592 CB ALA A 109 28.724 3.571 3.749 1.00 5.03 C ATOM 0 H ALA A 109 29.283 4.564 5.936 1.00 6.30 H new ATOM 0 HA ALA A 109 29.453 1.948 4.920 1.00 5.34 H new ATOM 0 HB1 ALA A 109 28.669 2.985 2.832 1.00 5.03 H new ATOM 0 HB2 ALA A 109 27.751 3.568 4.240 1.00 5.03 H new ATOM 0 HB3 ALA A 109 29.006 4.596 3.508 1.00 5.03 H new ATOM 1598 N LEU A 110 31.687 4.120 3.816 1.00 5.51 N ATOM 1599 CA LEU A 110 33.020 4.262 3.254 1.00 5.52 C ATOM 1600 C LEU A 110 34.020 3.522 4.126 1.00 5.67 C ATOM 1601 O LEU A 110 34.942 2.882 3.635 1.00 5.40 O ATOM 1602 CB LEU A 110 33.385 5.738 3.180 1.00 6.35 C ATOM 1603 CG LEU A 110 32.378 6.609 2.438 1.00 6.65 C ATOM 1604 CD1 LEU A 110 32.564 8.066 2.810 1.00 7.78 C ATOM 1605 CD2 LEU A 110 32.523 6.417 0.943 1.00 6.44 C ATOM 0 H LEU A 110 31.244 5.005 4.065 1.00 5.51 H new ATOM 0 HA LEU A 110 33.041 3.838 2.250 1.00 5.52 H new ATOM 0 HB2 LEU A 110 33.498 6.121 4.194 1.00 6.35 H new ATOM 0 HB3 LEU A 110 34.355 5.834 2.693 1.00 6.35 H new ATOM 0 HG LEU A 110 31.372 6.308 2.730 1.00 6.65 H new ATOM 0 HD11 LEU A 110 31.837 8.675 2.272 1.00 7.78 H new ATOM 0 HD12 LEU A 110 32.417 8.189 3.883 1.00 7.78 H new ATOM 0 HD13 LEU A 110 33.572 8.384 2.543 1.00 7.78 H new ATOM 0 HD21 LEU A 110 31.798 7.044 0.424 1.00 6.44 H new ATOM 0 HD22 LEU A 110 33.531 6.697 0.636 1.00 6.44 H new ATOM 0 HD23 LEU A 110 32.344 5.372 0.691 1.00 6.44 H new ATOM 1617 N ASP A 111 33.804 3.623 5.432 1.00 6.32 N ATOM 1618 CA ASP A 111 34.586 2.889 6.426 1.00 6.81 C ATOM 1619 C ASP A 111 34.548 1.399 6.117 1.00 6.41 C ATOM 1620 O ASP A 111 35.575 0.722 6.055 1.00 6.49 O ATOM 1621 CB ASP A 111 33.991 3.104 7.819 1.00 7.75 C ATOM 1622 CG ASP A 111 34.984 2.852 8.936 1.00 8.59 C ATOM 1623 OD1 ASP A 111 35.755 3.778 9.267 1.00 9.04 O ATOM 1624 OD2 ASP A 111 35.017 1.722 9.471 1.00 8.94 O ATOM 0 H ASP A 111 33.080 4.217 5.835 1.00 6.32 H new ATOM 0 HA ASP A 111 35.613 3.253 6.396 1.00 6.81 H new ATOM 0 HB2 ASP A 111 33.620 4.126 7.895 1.00 7.75 H new ATOM 0 HB3 ASP A 111 33.134 2.443 7.947 1.00 7.75 H new ATOM 1629 N TRP A 112 33.332 0.913 5.923 1.00 6.15 N ATOM 1630 CA TRP A 112 33.069 -0.481 5.629 1.00 6.12 C ATOM 1631 C TRP A 112 33.700 -0.873 4.304 1.00 5.57 C ATOM 1632 O TRP A 112 34.407 -1.877 4.204 1.00 5.97 O ATOM 1633 CB TRP A 112 31.558 -0.704 5.583 1.00 6.03 C ATOM 1634 CG TRP A 112 31.166 -2.147 5.481 1.00 6.48 C ATOM 1635 CD1 TRP A 112 30.877 -2.986 6.515 1.00 6.79 C ATOM 1636 CD2 TRP A 112 31.023 -2.917 4.282 1.00 7.05 C ATOM 1637 NE1 TRP A 112 30.571 -4.235 6.033 1.00 7.45 N ATOM 1638 CE2 TRP A 112 30.651 -4.219 4.666 1.00 7.60 C ATOM 1639 CE3 TRP A 112 31.174 -2.635 2.922 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 30.430 -5.232 3.737 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 30.954 -3.638 2.002 1.00 8.25 C ATOM 1642 CH2 TRP A 112 30.589 -4.927 2.414 1.00 8.69 C ATOM 0 H TRP A 112 32.490 1.487 5.967 1.00 6.15 H new ATOM 0 HA TRP A 112 33.506 -1.104 6.409 1.00 6.12 H new ATOM 0 HB2 TRP A 112 31.109 -0.277 6.480 1.00 6.03 H new ATOM 0 HB3 TRP A 112 31.145 -0.163 4.731 1.00 6.03 H new ATOM 0 HD1 TRP A 112 30.887 -2.710 7.559 1.00 6.79 H new ATOM 0 HE1 TRP A 112 30.324 -5.045 6.602 1.00 7.45 H new ATOM 0 HE3 TRP A 112 31.459 -1.646 2.596 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 30.143 -6.225 4.051 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 31.065 -3.427 0.949 1.00 8.25 H new ATOM 0 HH2 TRP A 112 30.430 -5.695 1.671 1.00 8.69 H new ATOM 1653 N ILE A 113 33.445 -0.051 3.300 1.00 4.92 N ATOM 1654 CA ILE A 113 33.928 -0.288 1.954 1.00 4.71 C ATOM 1655 C ILE A 113 35.458 -0.282 1.905 1.00 4.95 C ATOM 1656 O ILE A 113 36.073 -1.074 1.191 1.00 5.25 O ATOM 1657 CB ILE A 113 33.358 0.768 0.983 1.00 4.41 C ATOM 1658 CG1 ILE A 113 31.830 0.654 0.915 1.00 4.22 C ATOM 1659 CG2 ILE A 113 33.963 0.600 -0.399 1.00 4.75 C ATOM 1660 CD1 ILE A 113 31.182 1.587 -0.078 1.00 4.30 C ATOM 0 H ILE A 113 32.895 0.802 3.398 1.00 4.92 H new ATOM 0 HA ILE A 113 33.584 -1.275 1.644 1.00 4.71 H new ATOM 0 HB ILE A 113 33.618 1.759 1.354 1.00 4.41 H new ATOM 0 HG12 ILE A 113 31.565 -0.372 0.659 1.00 4.22 H new ATOM 0 HG13 ILE A 113 31.418 0.852 1.905 1.00 4.22 H new ATOM 0 HG21 ILE A 113 33.550 1.352 -1.071 1.00 4.75 H new ATOM 0 HG22 ILE A 113 35.045 0.721 -0.340 1.00 4.75 H new ATOM 0 HG23 ILE A 113 33.729 -0.394 -0.780 1.00 4.75 H new ATOM 0 HD11 ILE A 113 30.102 1.442 -0.063 1.00 4.30 H new ATOM 0 HD12 ILE A 113 31.413 2.619 0.188 1.00 4.30 H new ATOM 0 HD13 ILE A 113 31.562 1.376 -1.077 1.00 4.30 H new ATOM 1672 N PHE A 114 36.065 0.596 2.695 1.00 5.07 N ATOM 1673 CA PHE A 114 37.523 0.716 2.759 1.00 5.37 C ATOM 1674 C PHE A 114 38.144 -0.556 3.335 1.00 5.85 C ATOM 1675 O PHE A 114 39.309 -0.864 3.088 1.00 6.10 O ATOM 1676 CB PHE A 114 37.911 1.926 3.616 1.00 5.75 C ATOM 1677 CG PHE A 114 39.377 2.263 3.586 1.00 6.09 C ATOM 1678 CD1 PHE A 114 39.941 2.892 2.487 1.00 6.53 C ATOM 1679 CD2 PHE A 114 40.194 1.944 4.660 1.00 6.17 C ATOM 1680 CE1 PHE A 114 41.287 3.199 2.460 1.00 6.91 C ATOM 1681 CE2 PHE A 114 41.541 2.248 4.636 1.00 6.62 C ATOM 1682 CZ PHE A 114 42.083 2.897 3.525 1.00 6.92 C ATOM 0 H PHE A 114 35.567 1.243 3.307 1.00 5.07 H new ATOM 0 HA PHE A 114 37.904 0.857 1.748 1.00 5.37 H new ATOM 0 HB2 PHE A 114 37.344 2.793 3.277 1.00 5.75 H new ATOM 0 HB3 PHE A 114 37.615 1.735 4.648 1.00 5.75 H new ATOM 0 HD1 PHE A 114 39.320 3.145 1.641 1.00 6.53 H new ATOM 0 HD2 PHE A 114 39.773 1.453 5.524 1.00 6.17 H new ATOM 0 HE1 PHE A 114 41.711 3.681 1.591 1.00 6.91 H new ATOM 0 HE2 PHE A 114 42.172 1.985 5.472 1.00 6.62 H new ATOM 0 HZ PHE A 114 43.131 3.159 3.509 1.00 6.92 H new